Geometry & MOs

Info

ID:	36083
PubChem CID:	7980744
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	2.23
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-morpholin-4-ylsulfonylphenyl)methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations