Geometry & MOs

Info

ID:	309263
PubChem CID:	126541364
Reduced:	S2N3O6C24H33 (1)
Stoich.:	A2B3C6D24E33 (1)
Weight, g/mol:	481.88357
ΔH_f, kcal/mol:	-214.01
Dipole, Da:	6.94
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-5-(carbamoyloxymethyl)oxolan-2-yl]methyl N-(diiodomethylidene)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)CCCN3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations