Geometry & MOs

Info

ID:	244718
PubChem CID:	99381153
Reduced:	OSN2C21H32 (1)
Stoich.:	ABC2D21E32 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	6.26
IP(EA), eV:	-8.48(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-ethylphenyl)piperidin-4-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H]1CCCN1C(=O)C2=CC=C(C=C2)CN3CCSCC3

DOS

IR

Vibrations