Geometry & MOs

Info

ID:

47421

PubChem CID:

10532503

Reduced:

N3O5C16H22 (2)

Stoich.:

A3B5C16D22 (2)

Weight, g/mol:

675.214069

ΔHf, kcal/mol:

-459.41

Dipole, Da:

5.4

IP(EA), eV:

 -8.46(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,2-difluoro-4-[[2-[2-(3-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]amino]-3-oxo-5-phenylpentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CO)CC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations