Geometry & MOs

Info

ID:

111032

PubChem CID:

50348849

Reduced:

N3O3C16H22 (2)

Stoich.:

A3B3C16D22 (2)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-236.26

Dipole, Da:

4.9

IP(EA), eV:

 -8.81(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methoxy-4-[(2-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=C(C=CC(=C3)C(=O)N(C)C)OC)C

DOS

IR

Vibrations