Geometry & MOs

Info

ID:

117396

PubChem CID:

50601527

Reduced:

ClN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-207.05

Dipole, Da:

12.17

IP(EA), eV:

 -8.32(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C)Cl

DOS

IR

Vibrations