Geometry & MOs

Info

ID:

100665

PubChem CID:

50063483

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-176.63

Dipole, Da:

11.72

IP(EA), eV:

 -8.72(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(3-methylbenzoyl)amino]phenyl]-1-[1-[5-[(4-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=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C

DOS

IR

Vibrations