Geometry & MOs

Info

ID:	321095
PubChem CID:	126664740
Reduced:	SO5N6C19H20 (1)
Stoich.:	AB5C6D19E20 (1)
Weight, g/mol:	825.282379
ΔH_f, kcal/mol:	-136.89
Dipole, Da:	2.65
IP(EA), eV:	-8.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-N-[5-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-8-(chloromethyl)-1-methyl-4-phenylmethoxy-2,6,7,8-tetrahydrothieno[3,2-e]indole-1-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CS(=O)(=O)C[C@H]([C@H]1NC(=O)O)NC2=CN=C(C(=N2)C3=CC4=CC=CC=C4N3)C(=O)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CS(=O)(=O)C[C@H]([C@H]1NC(=O)O)NC2=CN=C(C(=N2)C3=CC4=CC=CC=C4N3)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):