Geometry & MOs

Info

ID:	194824
PubChem CID:	78593953
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	384.094392
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	2.9
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3CC3C)C

DOS

IR

Vibrations