Geometry & MOs

Info

ID:	192987
PubChem CID:	78332566
Reduced:	SO2F3N5C26H28 (1)
Stoich.:	AB2C3D5E26F28 (1)
Weight, g/mol:	454.129549
ΔH_f, kcal/mol:	-176.7
Dipole, Da:	4.57
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)C(=CC3=CC=C(C=C3)C(F)(F)F)S2)CC(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations