Geometry & MOs

Info

ID:	45394
PubChem CID:	10512681
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-148.26
Dipole, Da:	3.35
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-3,4-dihydro-2lambda6,1-benzothiazine 2,2-dioxide

Drug info:

PubChemData

Smile

CC1CC(=O)N(C=C1C(=O)O)CC(C)C

DOS

IR

Vibrations