Geometry & MOs

Info

ID:	311004
PubChem CID:	126588781
Reduced:	ClNO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	391.06055
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	2.33
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)N(CC)C(=O)CC)C

DOS

IR

Vibrations