Geometry & MOs

Info

ID:	228823
PubChem CID:	87565880
Reduced:	O5C10H18 (1)
Stoich.:	A5B10C18 (1)
Weight, g/mol:	571.161584
ΔH_f, kcal/mol:	-254.44
Dipole, Da:	4.17
IP(EA), eV:	-10.66(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-[[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)OC)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations