Geometry & MOs

Info

ID:	263390
PubChem CID:	103361523
Reduced:	N3S3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	319.102434
ΔH_f, kcal/mol:	60.02
Dipole, Da:	5.22
IP(EA), eV:	-8.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CCN(CC1=CC=CS1)C2=C(C(=NS2)N)SC

DOS

IR

Vibrations