Geometry & MOs

Info

ID:	135578
PubChem CID:	51895956
Reduced:	BrFSO2N4H11C15 (1)
Stoich.:	ABCD2E4F11G15 (1)
Weight, g/mol:	358.057648
ΔH_f, kcal/mol:	26.49
Dipole, Da:	7.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842960
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1[O-])SCC2=NC(=NO2)C3=CC(=C(C=C3)F)Br)C

DOS

IR

Vibrations