Geometry & MOs

Info

ID:	164954
PubChem CID:	74478383
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	402.101134
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	12.15
IP(EA), eV:	-8.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[4-[3-(2-ethoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

DOS

IR

Vibrations