Geometry & MOs

Info

ID:	249331
PubChem CID:	103088646
Reduced:	OSN2C12H26 (1)
Stoich.:	ABC2D12E26 (1)
Weight, g/mol:	329.005548
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	2.52
IP(EA), eV:	-8.68(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1CN(CCO1)C(CCCSC)CN

DOS

IR

Vibrations