Geometry & MOs

Info

ID:	349111
PubChem CID:	127274837
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	1.43
IP(EA), eV:	-9.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CC(CC1=O)NC(=O)CSCC2CCCCO2

DOS

IR

Vibrations