Geometry & MOs

Info

ID:	311107
PubChem CID:	126589438
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	3.05
IP(EA), eV:	-8.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)CC)N(C(=O)CC)O)C

DOS

IR

Vibrations