Geometry & MOs

Info

ID:	169583
PubChem CID:	75121766
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	5.85
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4-propan-2-ylphenoxy)ethyl 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(C(=O)N1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations