Geometry & MOs

Info

ID:

116965

PubChem CID:

50582720

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-221.43

Dipole, Da:

8.54

IP(EA), eV:

 -9.04(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)CC

DOS

IR

Vibrations