Geometry & MOs

Info

ID:	221731
PubChem CID:	85286086
Reduced:	S2N3O7H25C31 (1)
Stoich.:	A2B3C7D25E31 (1)
Weight, g/mol:	615.033401
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	5.08
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methylphenyl)-N-(thiophen-2-ylmethylideneamino)carbamimidothioate;oxovanadium(2+)

Drug info:

PubChemData

Smile

CSC1=NC2=C(N1C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)SN=C2

DOS

IR

Vibrations