Geometry & MOs

Info

ID:	388109
PubChem CID:	134988186
Reduced:	NOH11C15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	243.048463
ΔH_f, kcal/mol:	55.88
Dipole, Da:	2.74
IP(EA), eV:	-8.66(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-chloro-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C=NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations