Geometry & MOs

Info

ID:	170734
PubChem CID:	75271473
Reduced:	SO3N4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	19.52
Dipole, Da:	3.71
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-benzyl-8-oxo-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3C(C=CS3)N(C2=O)CC4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations