Geometry & MOs

Info

ID:

90091

PubChem CID:

49966276

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

706.384269

ΔHf, kcal/mol:

-210.37

Dipole, Da:

13.1

IP(EA), eV:

 -8.87(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations