Geometry & MOs

Info

ID:	10282
PubChem CID:	99636
Reduced:	ClN3O7C9H16 (1)
Stoich.:	AB3C7D9E16 (1)
Weight, g/mol:	313.067678
ΔH_f, kcal/mol:	-269.24
Dipole, Da:	4.13
IP(EA), eV:	-10.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CCl)N(C(=O)N[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O)O)O)N=O

DOS

IR

Vibrations