Geometry & MOs

Info

ID:	401406
PubChem CID:	135051184
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	256.051778
ΔH_f, kcal/mol:	3.54
Dipole, Da:	1.47
IP(EA), eV:	-8.66(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-nitro-1,4-dihydro-2lambda6,3-benzothiazine 2,2-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(N2C=CC3=CC=CC=C32)O

DOS

IR

Vibrations