Geometry & MOs

Info

ID:

90184

PubChem CID:

49967476

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-208.71

Dipole, Da:

6.14

IP(EA), eV:

 -8.67(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N(C)C

DOS

IR

Vibrations