Geometry & MOs

Info

ID:

116120

PubChem CID:

50548005

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

738.306324

ΔHf, kcal/mol:

-140.78

Dipole, Da:

4.77

IP(EA), eV:

 -8.31(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl

DOS

IR

Vibrations