Geometry & MOs

Info

ID:	121682
PubChem CID:	50776798
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	494.235162
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	2.43
IP(EA), eV:	-8.46(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C3C(=CN=C2C=C1)C(=C(S3)C(=O)NCCOC)C4=CC=C(C=C4)C

DOS

IR

Vibrations