Geometry & MOs

Info

ID:	147670
PubChem CID:	53787327
Reduced:	ClSN4O6H15C17 (1)
Stoich.:	ABC4D6E15F17 (1)
Weight, g/mol:	342.119379
ΔH_f, kcal/mol:	-106.56
Dipole, Da:	7.44
IP(EA), eV:	-9.43(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-1-(2-methoxyethyl)-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=NC3=CC(=C(C=C3C(=O)N2S(=O)(=O)N)[N+](=O)[O-])Cl

DOS

IR

Vibrations