Geometry & MOs

Info

ID:	140607
PubChem CID:	52729436
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	335.074678
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	4.75
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)sulfanyl-N-[4-(2-hydroxyethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CCO

DOS

IR

Vibrations