Geometry & MOs

Info

ID:	390856
PubChem CID:	135001301
Reduced:	FNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	348.136159
ΔH_f, kcal/mol:	-120.31
Dipole, Da:	3.96
IP(EA), eV:	-8.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-hydroxynaphthalen-1-yl)-2-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C[C@H](C1=CC=CC=C1)C2=CC3=C(N2C)CC=C(C3)F

DOS

IR

Vibrations