Geometry & MOs

Info

ID:	381494
PubChem CID:	134972250
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	5.63
IP(EA), eV:	-9.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-4a-(3-methylbutyl)-1,4-benzodioxine-3,7-dione

Drug info:

PubChemData

Smile

CC1(C2CC[C@]13CS(=O)(=O)N(C3C2)C(=O)/C=N\OCC4=CC=CC=C4)C

DOS

IR

Vibrations