Geometry & MOs

Info

ID:	164956
PubChem CID:	74478398
Reduced:	NSO6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	372.090569
ΔH_f, kcal/mol:	-179.05
Dipole, Da:	8.96
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

DOS

IR

Vibrations