Geometry & MOs

Info

ID:	29846
PubChem CID:	837752
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	332.0007
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	3.06
IP(EA), eV:	-8.37(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxynaphthalen-2-yl) 3,4-dichlorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)SC)OC2=CC=CC=C2

DOS

IR

Vibrations