Geometry & MOs

Info

ID:

90248

PubChem CID:

49967934

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-173.38

Dipole, Da:

13.3

IP(EA), eV:

 -8.72(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations