Geometry & MOs

Info

ID:	40505
PubChem CID:	8144244
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	388.126578
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	3.71
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O[C@H](C)C(=O)NC2=NC(=CS2)C

DOS

IR

Vibrations