Geometry & MOs

Info

ID:	12921
PubChem CID:	148374
Reduced:	BrO3S3N6C14H17 (1)
Stoich.:	AB3C3D6E14F17 (1)
Weight, g/mol:	491.97076
ΔH_f, kcal/mol:	-8.64
Dipole, Da:	4.74
IP(EA), eV:	-8.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)sulfonyl-N'-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfinyl]ethyl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)NC=NCCS(=O)CC2=CSC(=N2)N=C(N)N)Br

DOS

IR

Vibrations