Geometry & MOs

Info

ID:	207155
PubChem CID:	80354614
Reduced:	BrNSC11H24 (1)
Stoich.:	ABCD11E24 (1)
Weight, g/mol:	293.069734
ΔH_f, kcal/mol:	-32.76
Dipole, Da:	0.26
IP(EA), eV:	-8.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)ethylsulfanyl]-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(CSCCN(C)C)CBr

DOS

IR

Vibrations