Geometry & MOs

Info

ID:	122397
PubChem CID:	50804925
Reduced:	FOSN4H15C20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	57.22
Dipole, Da:	8.39
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)CSC2=NN=C3N2C=CN(C3=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations