Geometry & MOs

Info

ID:	233695
PubChem CID:	92092914
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	18.37
Dipole, Da:	2.28
IP(EA), eV:	-8.63(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfonylphenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)CCC(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations