Geometry & MOs

Info

ID:	10275
PubChem CID:	99591
Reduced:	ClN3O11C17H24 (1)
Stoich.:	AB3C11D17E24 (1)
Weight, g/mol:	481.109936
ΔH_f, kcal/mol:	-458.58
Dipole, Da:	4.6
IP(EA), eV:	-10.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations