Geometry & MOs

Info

ID:

96928

PubChem CID:

50025932

Reduced:

N5O6C34H45 (1)

Stoich.:

A5B6C34D45 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-235.25

Dipole, Da:

7.22

IP(EA), eV:

 -8.27(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations