Geometry & MOs

Info

ID:	361490
PubChem CID:	127303637
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	6.56
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-(2,2-dimethyl-3-oxopiperazin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)C2=CC3=C(S2)CCOC3)C

DOS

IR

Vibrations