Geometry & MOs

Info

ID:	151740
PubChem CID:	56310370
Reduced:	ClSN4O5C22H25 (1)
Stoich.:	ABC4D5E22F25 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-86.75
Dipole, Da:	9.3
IP(EA), eV:	-8.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CSCC(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations