Geometry & MOs

Info

ID:	310979
PubChem CID:	126588665
Reduced:	INO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	461.0272
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	2.35
IP(EA), eV:	-8.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-(trifluoromethyl)phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2I)NC(=O)OCC)C

DOS

IR

Vibrations