Geometry & MOs

Info

ID:	344280
PubChem CID:	127267456
Reduced:	SN2O3C17H28 (1)
Stoich.:	AB2C3D17E28 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	2.25
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCCCCOCC(=O)N1CCC(CC1)(CC2=NC(=CS2)C)O

DOS

IR

Vibrations