Geometry & MOs

Info

ID:	34358
PubChem CID:	7890911
Reduced:	SN2O4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	303.089543
ΔH_f, kcal/mol:	-120.89
Dipole, Da:	3.12
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanophenyl)methyl 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)NC(=O)COC(=O)CC2=CC=CS2

DOS

IR

Vibrations