Geometry & MOs

Info

ID:	362557
PubChem CID:	127308212
Reduced:	SO2N6C18H28 (1)
Stoich.:	AB2C6D18E28 (1)
Weight, g/mol:	370.121195
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	6.12
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C1=NN=C(S1)NC(=O)N2CCOC(C2)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations