Geometry & MOs

Info

ID:	148373
PubChem CID:	53788035
Reduced:	O2C31H60 (1)
Stoich.:	A2B31C60 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	-188.25
Dipole, Da:	4.06
IP(EA), eV:	-9.5(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(benzylcarbamoylsulfamoyl)piperidin-4-yl]ethyl]-1-hydroxyisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C(CCCCCC=CCCCCCCCCC=CCCCCCCCCO)CCCCCO

DOS

IR

Vibrations