Geometry & MOs

Info

ID:	403608
PubChem CID:	135060942
Reduced:	NS2O4H31C33 (1)
Stoich.:	AB2C4D31E33 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	9.91
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 3-naphthalen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C(=C([C@@H]2CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CS5)CC(=O)C

DOS

IR

Vibrations