Geometry & MOs

Info

ID:

111034

PubChem CID:

50348851

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-223.46

Dipole, Da:

5.7

IP(EA), eV:

 -8.14(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)OC)C

DOS

IR

Vibrations