Geometry & MOs

Info

ID:	357228
PubChem CID:	127293732
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	8.4
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)NC3CCN(C3)C4CC4)C(=O)C1)C

DOS

IR

Vibrations