Geometry & MOs

Info

ID:	340441
PubChem CID:	127262452
Reduced:	BrN2S2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	372.036913
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	6.75
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamimidothioate;5-chloro-2-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)S(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N

DOS

IR

Vibrations