Geometry & MOs

Info

ID:	166909
PubChem CID:	74752802
Reduced:	NSCl2O5H17C19 (1)
Stoich.:	ABC2D5E17F19 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-151.71
Dipole, Da:	7.94
IP(EA), eV:	-9.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CS(=O)(=O)NCC(=O)OCC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations