Geometry & MOs

Info

ID:	404588
PubChem CID:	135067086
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	571.96325
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	5.04
IP(EA), eV:	-9.21(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3S)-1-(3-bromophenyl)-3-hydroxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propyl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CCC/C=C/C(=C/COCC1=CC=CC=C1)/OC(=O)C(C)(C)C

DOS

IR

Vibrations