Geometry & MOs

Info

ID:	365244
PubChem CID:	127317589
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	6.87
IP(EA), eV:	-8.4(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC3CCSCC3

DOS

IR

Vibrations