Geometry & MOs

Info

ID:	27388
PubChem CID:	821054
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-77.54
Dipole, Da:	7.52
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-2-methoxy-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations