Geometry & MOs

Info

ID:

118330

PubChem CID:

50638790

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-239.61

Dipole, Da:

4.3

IP(EA), eV:

 -8.7(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC

DOS

IR

Vibrations