Geometry & MOs

Info

ID:	223457
PubChem CID:	85335071
Reduced:	ClOF3N3H13C17 (1)
Stoich.:	ABC3D3E13F17 (1)
Weight, g/mol:	370.113333
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	5.05
IP(EA), eV:	-10.12(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,5-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC1CCC2(C3=C(C=CC(=C3)Cl)N=C4C2=NC=NC4=O)C(F)(F)F

DOS

IR

Vibrations