Geometry & MOs

Info

ID:

231564

PubChem CID:

87574127

Reduced:

N3O3H21C28 (1)

Stoich.:

A3B3C21D28 (1)

Weight, g/mol:

959.382946

ΔHf, kcal/mol:

12.46

Dipole, Da:

4.66

IP(EA), eV:

 -8.75(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S)-2-[(2S)-2-[[4-[(2R,5R)-5-[4-[[1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CC3=CC=CC=C3C2=O)C4=C5C6=CC=CC=C6NC5=C(C=C4)C(=O)NO

DOS

IR

Vibrations