Geometry & MOs

Info

ID:

112004

PubChem CID:

50391481

Reduced:

SO4N5C34H47 (1)

Stoich.:

AB4C5D34E47 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-175.1

Dipole, Da:

6.72

IP(EA), eV:

 -8.63(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC)C(=O)NC4CCCCC4

DOS

IR

Vibrations