Geometry & MOs

Info

ID:	157726
PubChem CID:	56436808
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	420.149678
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	3.48
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-4-(2,4-difluorophenoxy)butanamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C(=O)NC(C#N)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations