Geometry & MOs

Info

ID:	352911
PubChem CID:	127284001
Reduced:	SO2N5C14H17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-9.83
Dipole, Da:	4.55
IP(EA), eV:	-9.64(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CNC(=O)C2=CSC=C2)N3C=NC=N3

DOS

IR

Vibrations