Geometry & MOs

Info

ID:	441071
PubChem CID:	135232998
Reduced:	ClIF2O3N5H27C29 (1)
Stoich.:	ABC2D3E5F27G29 (1)
Weight, g/mol:	469.072432
ΔH_f, kcal/mol:	-126.04
Dipole, Da:	6.62
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclohexa-1,5-dien-1-yl-2-(trifluoromethyl)furan-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C(=O)N(C2=CC(=CC=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CCC(CC4)(F)I)C5=NC=CN=C5

DOS

IR

Vibrations