Geometry & MOs

Info

ID:	310998
PubChem CID:	126588746
Reduced:	NBr2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	0.54
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Br)N(C(=O)OC)O)Br

DOS

IR

Vibrations