Geometry & MOs

Info

ID:

94068

PubChem CID:

49998410

Reduced:

ClN6O6C38H51 (1)

Stoich.:

AB6C6D38E51 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-263.23

Dipole, Da:

3.43

IP(EA), eV:

 -9.31(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations