Geometry & MOs

Info

ID:	398266
PubChem CID:	135032580
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	317.98263
ΔH_f, kcal/mol:	45.66
Dipole, Da:	2.74
IP(EA), eV:	-8.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-4H-3,1-benzothiazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)[C@@H](C[N+](=O)[O-])C3=CC=CS3

DOS

IR

Vibrations