Geometry & MOs

Info

ID:	360258
PubChem CID:	127300901
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	13.29
Dipole, Da:	8.83
IP(EA), eV:	-8.92(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

DOS

IR

Vibrations