Geometry & MOs

Info

ID:

96450

PubChem CID:

50021102

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-188.41

Dipole, Da:

7.26

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations