Geometry & MOs

Info

ID:	198655
PubChem CID:	79131032
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	-27.29
Dipole, Da:	3.32
IP(EA), eV:	-9.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2=CC=CC=C2)(C3(CCCC3)C#N)O

DOS

IR

Vibrations