Geometry & MOs

Info

ID:

17479

PubChem CID:

500661

Reduced:

N4O8C45H52 (1)

Stoich.:

A4B8C45D52 (1)

Weight, g/mol:

776.378515

ΔHf, kcal/mol:

-260.29

Dipole, Da:

3.07

IP(EA), eV:

 -8.82(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-cyclopropyl-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(C[C@@H]2C3CC3)C(=O)O)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NC7=CC=C(C=C7)C(=O)OC(C)(C)C

DOS

IR

Vibrations