Geometry & MOs

Info

ID:

107295

PubChem CID:

50197896

Reduced:

N5O7C34H43 (1)

Stoich.:

A5B7C34D43 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-255.63

Dipole, Da:

9.69

IP(EA), eV:

 -8.57(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-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=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations