Geometry & MOs

Info

ID:	392941
PubChem CID:	135018606
Reduced:	O3C8H8 (2)
Stoich.:	A3B8C8 (2)
Weight, g/mol:	284.061949
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	5.65
IP(EA), eV:	-9.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-nitro-1,4-diphenylazetidine-2-thione

Drug info:

PubChemData

Smile

COC(=O)C(=C)C(C(=C)C(=O)OC)C(=O)C1=CC=CC=C1O

DOS

IR

Vibrations