Geometry & MOs

Info

ID:	307791
PubChem CID:	125309235
Reduced:	SN2O4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	365.071324
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	3.54
IP(EA), eV:	-9.1(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[[(5R,6R)-5,6-dimethyl-7-oxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN1C(=O)/C(=C/C2=C3C=CC=CC3=NC2)/SC1=O

DOS

IR

Vibrations