Geometry & MOs

Info

ID:

95525

PubChem CID:

50010025

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-210.28

Dipole, Da:

8.94

IP(EA), eV:

 -8.88(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-6-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations