Geometry & MOs

Info

ID:	340438
PubChem CID:	127262449
Reduced:	ClN2S2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	380.122835
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	7.52
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamimidothioate;4-tert-butylbenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations