Geometry & MOs

Info

ID:

104108

PubChem CID:

50091682

Reduced:

O4N5C36H45 (1)

Stoich.:

A4B5C36D45 (1)

Weight, g/mol:

583.315855

ΔHf, kcal/mol:

-146.76

Dipole, Da:

7.0

IP(EA), eV:

 -8.72(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations