Geometry & MOs

Info

ID:	138355
PubChem CID:	52352683
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	351.127072
ΔH_f, kcal/mol:	8.55
Dipole, Da:	7.48
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(4-fluorophenyl)-3-(naphthalene-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN(CC#C)[C@H]2CCC3=CC=CC=C23

DOS

IR

Vibrations