Geometry & MOs

Info

ID:	147251
PubChem CID:	53786905
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	363.110673
ΔH_f, kcal/mol:	0.92
Dipole, Da:	2.63
IP(EA), eV:	-8.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-2-oxoacetate

Drug info:

PubChemData

Smile

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)Cl)SC)CC3=NNC(=O)C=C3

DOS

IR

Vibrations