Geometry & MOs

Info

ID:	307920
PubChem CID:	125310757
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	455.08343
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	3.01
IP(EA), eV:	-10.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=N[C@@H]1O)C2CCC2

DOS

IR

Vibrations