Geometry & MOs

Info

ID:	218738
PubChem CID:	85089890
Reduced:	BrFNO3C26H29 (1)
Stoich.:	ABCD3E26F29 (1)
Weight, g/mol:	502.160869
ΔH_f, kcal/mol:	-109.62
Dipole, Da:	5.99
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-(3-methylpent-1-yn-3-yloxy)-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2-diazaphospholidine

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C(=C4CCC3C1CCC2(CF)O)Br)C5=CC=C(C=C5)C=NO

DOS

IR

Vibrations