Geometry & MOs

Info

ID:	221295
PubChem CID:	85267513
Reduced:	SN3O3H17C21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	392.125988
ΔH_f, kcal/mol:	1.42
Dipole, Da:	5.73
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methoxy-1-phenylmethoxynaphthalen-2-yl)methylidene]butanedioic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N1CC2=CC(=CC=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations