Geometry & MOs

Info

ID:	340440
PubChem CID:	127262451
Reduced:	N2S2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	415.9864
ΔH_f, kcal/mol:	-81.73
Dipole, Da:	4.85
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamimidothioate;5-bromo-2-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations