Geometry & MOs

Info

ID:	417038
PubChem CID:	135091147
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	13.0
Dipole, Da:	4.97
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]sulfonyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC=NC(=C3)N)C4=C1C=CS4

DOS

IR

Vibrations