Geometry & MOs

Info

ID:	175065
PubChem CID:	75850957
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	429.124609
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	4.38
IP(EA), eV:	-10.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyanopropyl 3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCCCC#N

DOS

IR

Vibrations