Geometry & MOs

Info

ID:	310949
PubChem CID:	126588586
Reduced:	NO4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	399.111599
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	2.65
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxycarbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)CC)N(C(=O)OC)O)C

DOS

IR

Vibrations