Geometry & MOs

Info

ID:

107191

PubChem CID:

50194614

Reduced:

ClN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-206.88

Dipole, Da:

2.86

IP(EA), eV:

 -8.68(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=CC=C6Cl

DOS

IR

Vibrations