Geometry & MOs

Info

ID:	68586
PubChem CID:	46508706
Reduced:	FSO3N4C19H21 (1)
Stoich.:	ABC3D4E19F21 (1)
Weight, g/mol:	469.12269
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	2.88
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC2=CSC(=N2)N(CC)C(=O)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations