Geometry & MOs

Info

ID:

103599

PubChem CID:

50071872

Reduced:

O4N5C36H45 (1)

Stoich.:

A4B5C36D45 (1)

Weight, g/mol:

625.32642

ΔHf, kcal/mol:

-155.89

Dipole, Da:

6.09

IP(EA), eV:

 -8.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]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)NC(C(C)C)C(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations