Geometry & MOs

Info

ID:	30835
PubChem CID:	841988
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	199.041548
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	4.91
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC

DOS

IR

Vibrations