Geometry & MOs

Info

ID:	34376
PubChem CID:	7891007
Reduced:	SN2O6H18C20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	396.077993
ΔH_f, kcal/mol:	-192.66
Dipole, Da:	8.67
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-amino-4-cyano-3-[(1-hydroxynaphthalene-2-carbonyl)oxymethyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations