Geometry & MOs

Info

ID:

110938

PubChem CID:

50344772

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-193.12

Dipole, Da:

6.96

IP(EA), eV:

 -8.19(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C)C

DOS

IR

Vibrations