Geometry & MOs

Info

ID:	307695
PubChem CID:	125308171
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	299.01314
ΔH_f, kcal/mol:	34.22
Dipole, Da:	7.85
IP(EA), eV:	-8.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[2-(4-chlorophenoxy)ethylsulfanyl]-6H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C(=N2)C)C3=NC(=NC(=O)C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations