Geometry & MOs

Info

ID:	389658
PubChem CID:	134994318
Reduced:	SN2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	187.059306
ΔH_f, kcal/mol:	-7.55
Dipole, Da:	4.44
IP(EA), eV:	-10.55(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-cyanoethyl(nitro)amino]acetate

Drug info:

PubChemData

Smile

C=C[C@@H]1CN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations