Geometry & MOs

Info

ID:	311007
PubChem CID:	126588790
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	363.146842
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	3.13
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2N(C(=O)NC)O)C)C

DOS

IR

Vibrations