Geometry & MOs

Info

ID:

113121

PubChem CID:

50431408

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-239.87

Dipole, Da:

8.86

IP(EA), eV:

 -8.4(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propylcarbamoyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations