Geometry & MOs

Info

ID:	13695
PubChem CID:	396953
Reduced:	S2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	237.03944
ΔH_f, kcal/mol:	76.88
Dipole, Da:	2.57
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-2-sulfanyl-4,5-dihydroimidazole-1-carboximidothioic acid

Drug info:

PubChemData

Smile

C1CN(C(=N1)S)C(=NC2=CC=CC=C2)S

DOS

IR

Vibrations