Geometry & MOs

Info

ID:	262375
PubChem CID:	103289010
Reduced:	ClOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	322.054277
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	4.18
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(2-chlorophenyl)methylsulfinylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CSCC2=CC=CC=C2Cl

DOS

IR

Vibrations