Geometry & MOs

Info

ID:	301975
PubChem CID:	123106151
Reduced:	ClNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	413.085242
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	5.4
IP(EA), eV:	-8.35(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfinyl]-N-(4-phenoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C)S(=O)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations