Geometry & MOs

Info

ID:	156172
PubChem CID:	56369399
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	497.118748
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	3.53
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C(=O)C1=CN(N=C1C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations