Geometry & MOs

Info

ID:	175312
PubChem CID:	75881504
Reduced:	ClFN3O4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	396.05071
ΔH_f, kcal/mol:	-175.97
Dipole, Da:	3.13
IP(EA), eV:	-8.79(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromofuran-2-yl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(CNC(=O)C2=CC(=CC=C2)OCC(=O)N)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations