Geometry & MOs

Info

ID:

111853

PubChem CID:

50384308

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-178.08

Dipole, Da:

8.36

IP(EA), eV:

 -8.68(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C)C

DOS

IR

Vibrations