Geometry & MOs

Info

ID:	68730
PubChem CID:	46508994
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	479.161184
ΔH_f, kcal/mol:	-37.66
Dipole, Da:	3.21
IP(EA), eV:	-8.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

DOS

IR

Vibrations