Geometry & MOs

Info

ID:	268116
PubChem CID:	103597935
Reduced:	Cl2O2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	306.063841
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	3.06
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfanyl)phenyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C=CC2=CC=CC=N2

DOS

IR

Vibrations