Geometry & MOs

Info

ID:	290775
PubChem CID:	110650797
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	4.36
IP(EA), eV:	-7.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-3-(3-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CNC3=O)C4=CC=CC=C4

DOS

IR

Vibrations