Geometry & MOs

Info

ID:	364871
PubChem CID:	127316343
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	379.150053
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	8.07
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3CCCN(C3)C(=O)CC

DOS

IR

Vibrations