Geometry & MOs

Info

ID:

79204

PubChem CID:

49747407

Reduced:

S2N4O5C30H34 (1)

Stoich.:

A2B4C5D30E34 (1)

Weight, g/mol:

538.224991

ΔHf, kcal/mol:

-146.65

Dipole, Da:

3.04

IP(EA), eV:

 -8.4(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC3=CC4=C(C=C3)N(CCC4)C(=O)C5=CC=CS5

DOS

IR

Vibrations