Geometry & MOs

Info

ID:	366790
PubChem CID:	127320327
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	315.107519
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	4.72
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3CCOC3

DOS

IR

Vibrations