Geometry & MOs

Info

ID:	139927
PubChem CID:	52619035
Reduced:	FS2N3O4H14C19 (1)
Stoich.:	AB2C3D4E14F19 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-4.52
Dipole, Da:	9.29
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(2-methyl-3-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F)C4=CC=CS4

DOS

IR

Vibrations