Geometry & MOs

Info

ID:	34362
PubChem CID:	7890924
Reduced:	SN2O4H16C21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	406.098728
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	3.86
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations