Geometry & MOs

Info

ID:

181479

PubChem CID:

76749562

Reduced:

NO2C11H15 (3)

Stoich.:

AB2C11D15 (3)

Weight, g/mol:

764.374492

ΔHf, kcal/mol:

-234.88

Dipole, Da:

4.32

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[2-amino-1-(3,5-dimethoxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-phenylacetyl)amino]acetyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C)OC(=O)NC(C1CC2=CC=CC=C2C1)C(=O)N3CC4C(C3C(=O)CC(CC5CC5)C(=O)C(=O)N)C4(C)C

DOS

IR

Vibrations