Geometry & MOs

Info

ID:

107185

PubChem CID:

50194151

Reduced:

O3N4C27H34 (1)

Stoich.:

A3B4C27D34 (1)

Weight, g/mol:

714.446869

ΔHf, kcal/mol:

-111.05

Dipole, Da:

7.02

IP(EA), eV:

 -8.86(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations