Geometry & MOs

Info

ID:	357216
PubChem CID:	127293720
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	3.15
IP(EA), eV:	-8.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(1,4-dioxan-2-ylmethyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)NC(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations