Geometry & MOs

Info

ID:	60090
PubChem CID:	26675670
Reduced:	ClSN3O5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	458.02998
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	5.81
IP(EA), eV:	-9.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-bromonaphthalen-2-yl)oxy-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations