Geometry & MOs

Info

ID:

98409

PubChem CID:

50043822

Reduced:

Cl2F2O4N5C32H33 (1)

Stoich.:

A2B2C4D5E32F33 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-231.77

Dipole, Da:

8.88

IP(EA), eV:

 -8.86(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations