Geometry & MOs

Info

ID:	229740
PubChem CID:	87568751
Reduced:	C2O3N5H7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	398.139924
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	4.31
IP(EA), eV:	-9.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-[(2S)-2-phenylmethoxycarbonyl-1,3-dioxolan-4-yl]ethanesulfonic acid

Drug info:

PubChemData

Smile

CN(C(=O)N)N=O.NN=O

DOS

IR

Vibrations