Geometry & MOs

Info

ID:

106608

PubChem CID:

50170757

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

726.354111

ΔHf, kcal/mol:

-173.74

Dipole, Da:

2.6

IP(EA), eV:

 -8.56(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2-fluorobenzoyl)amino]-3-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations