Geometry & MOs

Info

ID:

109842

PubChem CID:

50299654

Reduced:

N5O5C30H41 (1)

Stoich.:

A5B5C30D41 (1)

Weight, g/mol:

758.283981

ΔHf, kcal/mol:

-201.47

Dipole, Da:

6.72

IP(EA), eV:

 -8.47(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3OC)C(=O)NC(C)C

DOS

IR

Vibrations