Geometry & MOs

Info

ID:

119163

PubChem CID:

50672406

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

596.251396

ΔHf, kcal/mol:

-197.7

Dipole, Da:

7.98

IP(EA), eV:

 -8.71(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations