Geometry & MOs

Info

ID:	122128
PubChem CID:	50795808
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	429.107102
ΔH_f, kcal/mol:	11.28
Dipole, Da:	7.23
IP(EA), eV:	-8.42(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(3,4-difluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(thiophen-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCCC2=NN=C3N2C=CN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations