Geometry & MOs

Info

ID:	179853
PubChem CID:	76543260
Reduced:	Cl2F3N3O5C26H28 (1)
Stoich.:	A2B3C3D5E26F28 (1)
Weight, g/mol:	477.137477
ΔH_f, kcal/mol:	-287.87
Dipole, Da:	2.04
IP(EA), eV:	-8.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoylamino]hexanoate

Drug info:

PubChemData

Smile

CN1CC2CC(CCC2(C1)C3=CC(=C(C=C3)OC)OC)NC(=O)N(C4=C(C=CC(=C4)Cl)Cl)OC(=O)C(F)(F)F

DOS

IR

Vibrations