Geometry & MOs

Info

ID:	51791
PubChem CID:	12014532
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	72.37
Dipole, Da:	4.65
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-hydroxy-4-naphthalen-2-ylbutanoate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]1[C@]3(C=CC=C2)C4=CC=CC=C[C@H]4N5N3C(=O)N(C5=O)C6=CC=CC=C6

DOS

IR

Vibrations