Geometry & MOs

Info

ID:

119964

PubChem CID:

50708856

Reduced:

Cl2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-104.16

Dipole, Da:

1.4

IP(EA), eV:

 -8.4(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations