Geometry & MOs

Info

ID:	194825
PubChem CID:	78594187
Reduced:	FSN2O3H17C20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	382.132885
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	5.32
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations