Geometry & MOs

Info

ID:	151139
PubChem CID:	53790837
Reduced:	O2S2Cl3N3H18C21 (1)
Stoich.:	A2B2C3D3E18F21 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	5.43
IP(EA), eV:	-9.06(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrol-2-yl]ethyl]-N-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)SCCC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations