Geometry & MOs

Info

ID:

115764

PubChem CID:

50533242

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-182.16

Dipole, Da:

4.91

IP(EA), eV:

 -8.49(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations