Geometry & MOs

Info

ID:	120733
PubChem CID:	50742486
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	323.110376
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	8.36
IP(EA), eV:	-9.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-diazepan-1-yl)-5-(4-fluorophenyl)-4-methyl-1,2-thiazole 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NS2(=O)=O)N3CCCNCC3)C

DOS

IR

Vibrations