Geometry & MOs

Info

ID:

119053

PubChem CID:

50668953

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-197.1

Dipole, Da:

9.76

IP(EA), eV:

 -8.65(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations