Geometry & MOs

Info

ID:	376416
PubChem CID:	134222429
Reduced:	O2C5H8 (3)
Stoich.:	A2B5C8 (3)
Weight, g/mol:	628.164855
ΔH_f, kcal/mol:	-285.92
Dipole, Da:	4.31
IP(EA), eV:	-10.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]-3-fluorophenyl]phenoxy]-difluoromethyl]-1,3-difluoro-5-(4-propylphenyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1OC(=O)[C@@](O1)(C/C=C/C(C)(C)O)CC(=O)O

DOS

IR

Vibrations