Geometry & MOs

Info

ID:	317812
PubChem CID:	126645892
Reduced:	N2O4C7H12 (1)
Stoich.:	A2B4C7D12 (1)
Weight, g/mol:	661.192135
ΔH_f, kcal/mol:	-194.65
Dipole, Da:	4.13
IP(EA), eV:	-10.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[2,2-diphenylethyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-fluoro-6-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C1[C@H](C[C@H]([C@@H]1NC(=O)O)O)C(=O)N

DOS

IR

Vibrations