Geometry & MOs

Info

ID:

119007

PubChem CID:

50666987

Reduced:

ClN5O6C30H36 (1)

Stoich.:

AB5C6D30E36 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-221.68

Dipole, Da:

7.32

IP(EA), eV:

 -8.29(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-[1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations