Geometry & MOs

Info

ID:

95929

PubChem CID:

50016873

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-208.2

Dipole, Da:

6.08

IP(EA), eV:

 -8.95(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations