Geometry & MOs

Info

ID:

117068

PubChem CID:

50587743

Reduced:

ClN3O3C18H23 (2)

Stoich.:

AB3C3D18E23 (2)

Weight, g/mol:

748.290674

ΔHf, kcal/mol:

-267.39

Dipole, Da:

4.22

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-chloro-5-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations