Geometry & MOs

Info

ID:	268123
PubChem CID:	103597958
Reduced:	INSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	304.103477
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	3.22
IP(EA), eV:	-8.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C=CC2=CC=C(O2)I

DOS

IR

Vibrations