Geometry & MOs

Info

ID:	58522
PubChem CID:	24702238
Reduced:	BrSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	191.142248
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	3.95
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl(methyl)amino]propanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)O)Br

DOS

IR

Vibrations