Geometry & MOs

Info

ID:	36571
PubChem CID:	8009009
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	378.174356
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	10.06
IP(EA), eV:	-9.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CO3)C

DOS

IR

Vibrations