Geometry & MOs

Info

ID:	79964
PubChem CID:	49831868
Reduced:	NSCl3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-144.71
Dipole, Da:	6.64
IP(EA), eV:	-9.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-(cyclohexylcarbamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations