Geometry & MOs

Info

ID:	199545
PubChem CID:	79264996
Reduced:	ClSN2O6C11H11 (1)
Stoich.:	ABC2D6E11F11 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-126.88
Dipole, Da:	4.04
IP(EA), eV:	-10.27(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C=CCN(CC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations