Geometry & MOs

Info

ID:	366288
PubChem CID:	127319745
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	333.137179
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	3.25
IP(EA), eV:	-9.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations