Geometry & MOs

Info

ID:	64553
PubChem CID:	29202849
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	480.087033
ΔH_f, kcal/mol:	-121.08
Dipole, Da:	7.08
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(carbamoylamino)benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3[C@@H]([C@H](CC3=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations