Geometry & MOs

Info

ID:	360274
PubChem CID:	127300917
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	382.092204
ΔH_f, kcal/mol:	-35.25
Dipole, Da:	7.21
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations