Geometry & MOs

Info

ID:	194164
PubChem CID:	78492672
Reduced:	ClFN2O4C17H20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	370.12388
ΔH_f, kcal/mol:	-230.81
Dipole, Da:	2.04
IP(EA), eV:	-9.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[3-(2,5-dimethylphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations