Geometry & MOs

Info

ID:	171561
PubChem CID:	75394551
Reduced:	FSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	424.058521
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	2.31
IP(EA), eV:	-8.5(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,5-dithiazepane-5-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=C3)F

DOS

IR

Vibrations