Geometry & MOs

Info

ID:	180002
PubChem CID:	76565021
Reduced:	ClSN2O5C29H33 (1)
Stoich.:	ABC2D5E29F33 (1)
Weight, g/mol:	633.327482
ΔH_f, kcal/mol:	-176.62
Dipole, Da:	6.77
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1,2-dioxohexan-3-yl)-3-[3,3-dimethyl-2-[[2-phenyl-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-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

CC(C)(C)OC(=O)N(C)C1CCC2=C(C=CC(=C2C1)OC)NS(=O)(=O)C3=CC=CC=C3C4=CC=C(C=C4)Cl

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

CC(C)(C)OC(=O)N(C)C1CCC2=C(C=CC(=C2C1)OC)NS(=O)(=O)C3=CC=CC=C3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):