Geometry & MOs

Info

ID:

95472

PubChem CID:

50009589

Reduced:

O5N6C31H40 (1)

Stoich.:

A5B6C31D40 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-203.73

Dipole, Da:

6.61

IP(EA), eV:

 -8.71(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations