Geometry & MOs

Info

ID:

115339

PubChem CID:

50519345

Reduced:

ClO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

561.19096

ΔHf, kcal/mol:

-166.4

Dipole, Da:

4.7

IP(EA), eV:

 -9.04(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C(=O)N

DOS

IR

Vibrations