Geometry & MOs

Info

ID:	311051
PubChem CID:	126588963
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	367.196986
ΔH_f, kcal/mol:	-99.46
Dipole, Da:	5.75
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]propanethioamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)N(CC)C(=O)NC)C

DOS

IR

Vibrations