Geometry & MOs

Info

ID:	308171
PubChem CID:	125317218
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	353.083413
ΔH_f, kcal/mol:	1.43
Dipole, Da:	0.49
IP(EA), eV:	-9.77(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(6R)-5-oxo-6-phenyl-6H-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CSC2=NC(=O)[C@@H](N=N2)C3=CC=CC=C3

DOS

IR

Vibrations