Geometry & MOs

Info

ID:	26383
PubChem CID:	645872
Reduced:	NSO5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-177.61
Dipole, Da:	5.22
IP(EA), eV:	-9.69(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC2=CC(=C(C=C21)O)C(=O)O

DOS

IR

Vibrations