Geometry & MOs

Info

ID:

107931

PubChem CID:

50224504

Reduced:

N6O6C39H50 (1)

Stoich.:

A6B6C39D50 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-226.8

Dipole, Da:

14.41

IP(EA), eV:

 -8.71(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations