Geometry & MOs

Info

ID:	173787
PubChem CID:	75682866
Reduced:	N2C17H31 (1)
Stoich.:	A2B17C31 (1)
Weight, g/mol:	321.127289
ΔH_f, kcal/mol:	6.67
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752592
Charge, e:	-1

Chem-info

IUPAC name:

2-(diethylamino)-2-ethoxycarbonyl-7-methyl-1,4-benzothiazin-3-olate

Drug info:

PubChemData

Smile

C1CCC(CC1)[NH+]2CCN(CC2)CC3CCC=CC3

DOS

IR

Vibrations