Geometry & MOs

Info

ID:

103773

PubChem CID:

50072985

Reduced:

O5N6C39H42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-142.53

Dipole, Da:

13.99

IP(EA), eV:

 -8.37(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-chlorobenzoyl)amino]phenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations