Geometry & MOs

Info

ID:	122425
PubChem CID:	50806194
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	467.12634
ΔH_f, kcal/mol:	19.13
Dipole, Da:	4.47
IP(EA), eV:	-8.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C=CC(=C1)C)C)SC2=NN=C3N2C=CN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations