Geometry & MOs

Info

ID:	147671
PubChem CID:	53787328
Reduced:	ClN2O7C12H23 (1)
Stoich.:	AB2C7D12E23 (1)
Weight, g/mol:	342.119379
ΔH_f, kcal/mol:	-330.91
Dipole, Da:	4.65
IP(EA), eV:	-10.06(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN(C1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)NCCCl

DOS

IR

Vibrations