Geometry & MOs

Info

ID:	403003
PubChem CID:	135058261
Reduced:	NSO3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	284.087101
ΔH_f, kcal/mol:	9.14
Dipole, Da:	9.27
IP(EA), eV:	-8.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-(phenylsulfanylmethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)C2=C(C3=CC=CC=C3O2)C#N

DOS

IR

Vibrations