Geometry & MOs

Info

ID:	11307
PubChem CID:	113678
Reduced:	S2N3O4C9H15 (1)
Stoich.:	A2B3C4D9E15 (1)
Weight, g/mol:	293.050398
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	3.37
IP(EA), eV:	-8.75(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl N'-phenylcarbamimidothioate;sulfuric acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=C(N)SCCN.OS(=O)(=O)O

DOS

IR

Vibrations