Geometry & MOs

Info

ID:

95600

PubChem CID:

50010601

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

555.284555

ΔHf, kcal/mol:

-114.23

Dipole, Da:

9.46

IP(EA), eV:

 -8.5(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations