Geometry & MOs

Info

ID:

176879

PubChem CID:

76107211

Reduced:

SN3O4H9C10 (1)

Stoich.:

AB3C4D9E10 (1)

Weight, g/mol:

788.360573

ΔHf, kcal/mol:

-103.53

Dipole, Da:

2.05

IP(EA), eV:

-9.1(-0.83)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NS(=O)O)C(=O)C2=CNC(=O)N2

DOS

IR

Vibrations