Geometry & MOs

Info

ID:	438316
PubChem CID:	135228049
Reduced:	N5C25H29 (1)
Stoich.:	A5B25C29 (1)
Weight, g/mol:	304.104563
ΔH_f, kcal/mol:	113.01
Dipole, Da:	6.64
IP(EA), eV:	-8.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoropyridin-2-yl)-1,1,4-trimethyl-3H-2lambda4,3-benzothiazine 2-oxide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C(C2=CC=CC=C2)NC3=C(C=CC(=C3)C(=C(C)C)N(C)N=C)N

DOS

IR

Vibrations