Geometry & MOs

Info

ID:	137907
PubChem CID:	52282314
Reduced:	ClN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	5.43
IP(EA), eV:	-9.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)NC[C@H](C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations