Geometry & MOs

Info

ID:	271731
PubChem CID:	103689981
Reduced:	ClN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	276.068097
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	3.25
IP(EA), eV:	-8.99(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazol-4-yl)-1,1-dioxo-1,2-benzothiazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC1CC(C1)C2=CC=CC=C2Cl

DOS

IR

Vibrations