Geometry & MOs

Info

ID:	404203
PubChem CID:	135065388
Reduced:	SN2O7C20H20 (1)
Stoich.:	AB2C7D20E20 (1)
Weight, g/mol:	443.07461
ΔH_f, kcal/mol:	-143.61
Dipole, Da:	11.57
IP(EA), eV:	-9.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-(iodomethyl)-1-[(4-methoxyphenyl)methyl]-4-naphthalen-2-ylazetidine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/1\C[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations