Geometry & MOs

Info

ID:	131919
PubChem CID:	51280447
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	364.139154
ΔH_f, kcal/mol:	41.93
Dipole, Da:	6.0
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NC=NC3=C2SC=C3

DOS

IR

Vibrations