Geometry & MOs

Info

ID:	191327
PubChem CID:	78132305
Reduced:	O3S3N5C22H27 (1)
Stoich.:	A3B3C5D22E27 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	-32.7
Dipole, Da:	5.52
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[2-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)CNC2=NC(=O)C(=CC3=CSC(=N3)C4=CC(=CC=C4)N(C)S(=O)(=O)C)S2

DOS

IR

Vibrations