Geometry & MOs

Info

ID:

110188

PubChem CID:

50315188

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-201.97

Dipole, Da:

5.03

IP(EA), eV:

 -8.98(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(diethylcarbamoyl)phenyl]-1-[1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N(C)C)C(=O)NC(C)C

DOS

IR

Vibrations