Geometry & MOs

Info

ID:	165924
PubChem CID:	74614621
Reduced:	ClN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	495.111851
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	4.75
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations