Geometry & MOs

Info

ID:	360256
PubChem CID:	127300899
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	8.7
IP(EA), eV:	-8.9(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydrobenzo[g][1]benzothiol-2-yl-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations