Geometry & MOs

Info

ID:	365767
PubChem CID:	127318492
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	3.35
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-(6,7,8,9-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=CC4=C3CCCC4

DOS

IR

Vibrations