Geometry & MOs

Info

ID:	198642
PubChem CID:	79128895
Reduced:	NOC13H27 (1)
Stoich.:	ABC13D27 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	2.5
IP(EA), eV:	-9.25(2.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-2-methylphenyl)sulfanyl-N-(3-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)(CN)C(C)(C)O

DOS

IR

Vibrations