Geometry & MOs

Info

ID:	404302
PubChem CID:	135065772
Reduced:	ClNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	363.183444
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (3R)-3-(2-hydroxyanilino)-3-naphthalen-2-ylpropanoate

Drug info:

PubChemData

Smile

C[C@@]1(C=CC(=O)O1)[C@@H](C2=CC=C(C=C2)Cl)NC3=CC=CC=C3O

DOS

IR

Vibrations