Geometry & MOs

Info

ID:	340436
PubChem CID:	127262447
Reduced:	NSO4C7H11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	415.9864
ΔH_f, kcal/mol:	-174.84
Dipole, Da:	7.24
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamimidothioate;2-bromo-5-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations