Geometry & MOs

Info

ID:	166905
PubChem CID:	74752777
Reduced:	O2S2N3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	3.53
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylprop-2-enyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)NCCSC3=CC=CC=C3

DOS

IR

Vibrations