Geometry & MOs

Info

ID:	310975
PubChem CID:	126588659
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	437.06603
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	2.57
IP(EA), eV:	-8.69(-0.09)
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-ethoxyphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=CC=CC=C2NC(=O)OCC)C

DOS

IR

Vibrations