Geometry & MOs

Info

ID:

95055

PubChem CID:

50006074

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-207.96

Dipole, Da:

8.8

IP(EA), eV:

 -8.59(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations