Geometry & MOs

Info

ID:	230702
PubChem CID:	87571688
Reduced:	FN2O12C31H41 (1)
Stoich.:	AB2C12D31E41 (1)
Weight, g/mol:	184.072216
ΔH_f, kcal/mol:	-558.97
Dipole, Da:	2.86
IP(EA), eV:	-8.54(0.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(Z,3R)-1-diazonio-4-methyl-2-oxidopent-1-en-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O)CC3=CC(=C(C=C3)OC(C)C)F

DOS

IR

Vibrations