Geometry & MOs

Info

ID:	177958
PubChem CID:	76258544
Reduced:	S2N3O4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	406.169271
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.940191
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)CSC2=[N+](C(=O)C3C=CC=CC3=N2)CCC4=CCCCC4

DOS

IR

Vibrations