Geometry & MOs

Info

ID:	24459
PubChem CID:	610395
Reduced:	N2S2O5H12C17 (1)
Stoich.:	A2B2C5D12E17 (1)
Weight, g/mol:	388.018764
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	4.85
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-5-(2-hydroxy-4-methoxy-5-thiocyanatobenzoyl)-2-methoxyphenyl] thiocyanate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)O)C(=O)C2=CC(=C(C=C2O)OC)SC#N)SC#N

DOS

IR

Vibrations