Geometry & MOs

Info

ID:

104581

PubChem CID:

50104654

Reduced:

N5O5C35H43 (1)

Stoich.:

A5B5C35D43 (1)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

-177.15

Dipole, Da:

3.57

IP(EA), eV:

 -8.45(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations