Geometry & MOs

Info

ID:	364879
PubChem CID:	127316351
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	7.55
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations