Geometry & MOs

Info

ID:

117767

PubChem CID:

50614368

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

612.246311

ΔHf, kcal/mol:

-250.02

Dipole, Da:

4.89

IP(EA), eV:

 -8.2(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methoxy-3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)OC

DOS

IR

Vibrations