Geometry & MOs

Info

ID:

103838

PubChem CID:

50077379

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-167.78

Dipole, Da:

5.53

IP(EA), eV:

 -8.44(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations