Geometry & MOs

Info

ID:

103648

PubChem CID:

50072085

Reduced:

N3O3C20H22 (2)

Stoich.:

A3B3C20D22 (2)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-180.77

Dipole, Da:

10.92

IP(EA), eV:

 -8.54(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations