Geometry & MOs

Info

ID:	311103
PubChem CID:	126589430
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	355.196986
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	4.08
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C)N1)C(C(=O)O)O

DOS

IR

Vibrations