Geometry & MOs

Info

ID:

110944

PubChem CID:

50345018

Reduced:

O5N6C37H48 (1)

Stoich.:

A5B6C37D48 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-192.21

Dipole, Da:

5.11

IP(EA), eV:

 -8.76(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5)C(=O)N6CCCC6

DOS

IR

Vibrations