Geometry & MOs

Info

ID:	342409
PubChem CID:	127265232
Reduced:	OSN3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	70.05
Dipole, Da:	2.5
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NC=C(S2)C=C(C)C3=NC=CN=C3

DOS

IR

Vibrations