Geometry & MOs

Info

ID:

107544

PubChem CID:

50208163

Reduced:

O4N5C37H53 (1)

Stoich.:

A4B5C37D53 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-205.45

Dipole, Da:

5.25

IP(EA), eV:

 -8.36(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations