Geometry & MOs

Info

ID:	35997
PubChem CID:	7980621
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	4.19
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-N-[4-(4-methylphenoxy)phenyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations