Geometry & MOs

Info

ID:	227716
PubChem CID:	87562292
Reduced:	NF3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	673.290961
ΔH_f, kcal/mol:	-240.92
Dipole, Da:	2.81
IP(EA), eV:	-10.22(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[(3R)-3-[[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]carbamoyl]-8-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazol-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

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

C/C=C/[C@H](C1=CC=C(C=C1)C(F)(F)F)[C@@H](C)N(C(=O)O)O

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

C/C=C/[C@H](C1=CC=C(C=C1)C(F)(F)F)[C@@H](C)N(C(=O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):