Geometry & MOs

Info

ID:	307846
PubChem CID:	125309841
Reduced:	OSN2C8H8 (2)
Stoich.:	ABC2D8E8 (2)
Weight, g/mol:	293.112404
ΔH_f, kcal/mol:	44.7
Dipole, Da:	6.21
IP(EA), eV:	-8.6(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6S)-3,5-dioxo-6H-1,2,4-triazin-6-yl]-N-[(Z)-[(2S)-2-methyl-2,3-dihydrofuran-5-yl]methylideneamino]propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1)SCC2=NC(=NO2)C3=CC=C(C=C3)SC

DOS

IR

Vibrations