Geometry & MOs

Info

ID:	320514
PubChem CID:	126661540
Reduced:	O3S3N6C26H26 (1)
Stoich.:	A3B3C6D26E26 (1)
Weight, g/mol:	535.117039
ΔH_f, kcal/mol:	9.75
Dipole, Da:	8.25
IP(EA), eV:	-8.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-acetamidophenyl)sulfanylpiperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3NC(=O)C4=CSC(=N4)C5=CC=CS5)N

DOS

IR

Vibrations