Geometry & MOs

Info

ID:	311104
PubChem CID:	126589431
Reduced:	NOSC22H29 (1)
Stoich.:	ABCD22E29 (1)
Weight, g/mol:	331.140614
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	3.86
IP(EA), eV:	-8.36(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-fluorophenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(C)C)NC(=S)CC)C

DOS

IR

Vibrations