Geometry & MOs

Info

ID:	29862
PubChem CID:	837828
Reduced:	NSO2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	298.039672
ΔH_f, kcal/mol:	-48.52
Dipole, Da:	3.35
IP(EA), eV:	-8.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxynaphthalen-2-yl) 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@H](C)C(=O)NC2=CC(=CC=C2)SC

DOS

IR

Vibrations