Geometry & MOs

Info

ID:	68488
PubChem CID:	46508512
Reduced:	SN4O5C17H26 (1)
Stoich.:	AB4C5D17E26 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-204.53
Dipole, Da:	11.02
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]ethanone

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)CNC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2)C)C

DOS

IR

Vibrations