Geometry & MOs

Info

ID:	198668
PubChem CID:	79132935
Reduced:	NOC17H31 (1)
Stoich.:	ABC17D31 (1)
Weight, g/mol:	306.059362
ΔH_f, kcal/mol:	-90.18
Dipole, Da:	3.54
IP(EA), eV:	-10.5(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-2-chlorophenyl)sulfanyl-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCCCCC(C1(CCCC(C1)CC)C#N)O

DOS

IR

Vibrations