Geometry & MOs

Info

ID:	233761
PubChem CID:	92093374
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	3.14
IP(EA), eV:	-8.45(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(furan-2-yl)pyridin-3-yl]methyl]-3-(4-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CCC(=O)NCC3=CN=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations