Geometry & MOs

Info

ID:	195928
PubChem CID:	78749928
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	344.106002
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	6.41
IP(EA), eV:	-8.84(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluorophenyl)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C(=O)NC(C)(C)C

DOS

IR

Vibrations