Geometry & MOs

Info

ID:	394517
PubChem CID:	135023132
Reduced:	ClNOC20H28 (1)
Stoich.:	ABCD20E28 (1)
Weight, g/mol:	232.105922
ΔH_f, kcal/mol:	-58.52
Dipole, Da:	3.9
IP(EA), eV:	-9.3(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-2-(hydroxymethyl)-6-[(3-methyldiazirin-3-yl)methyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C/C(=C/CCCCC1CCCN(C1=O)CC2=CC=CC=C2)/CCl

DOS

IR

Vibrations