Geometry & MOs

Info

ID:

114720

PubChem CID:

50493998

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-314.29

Dipole, Da:

6.49

IP(EA), eV:

 -8.32(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-methoxy-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations