Geometry & MOs

Info

ID:	220517
PubChem CID:	85197642
Reduced:	ClSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	323.122969
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	3.89
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[8-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxoimidazo[1,2-a][1,3,5]triazin-2-yl]ethanimidate

Drug info:

PubChemData

Smile

CC(CO)(CSC1=CC=CC=C1)C(C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations