Geometry & MOs

Info

ID:	408390
PubChem CID:	135081156
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	5.05
IP(EA), eV:	-8.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-4-oxo-N-phenylbutanamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(SC3=CC=CC=C3N2)C=O

DOS

IR

Vibrations