Geometry & MOs

Info

ID:	45900
PubChem CID:	10518880
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.040168
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	6.06
IP(EA), eV:	-9.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R,4S,5S)-4-azido-3,5-dihydroxythian-2-yl]sulfanylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O[C@H](C[N+](=O)[O-])C(C)C)NC(=O)C

DOS

IR

Vibrations