Geometry & MOs

Info

ID:

117765

PubChem CID:

50614340

Reduced:

Cl2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

602.181124

ΔHf, kcal/mol:

-184.74

Dipole, Da:

8.18

IP(EA), eV:

 -8.65(-0.91)

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-chloro-3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations