Geometry & MOs

Info

ID:

110584

PubChem CID:

50331295

Reduced:

FO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-207.31

Dipole, Da:

5.63

IP(EA), eV:

 -8.89(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[3-(dimethylcarbamoyl)-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=C3C(=O)NC4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations