Geometry & MOs

Info

ID:	184485
PubChem CID:	77168189
Reduced:	BrN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	554.073089
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	4.84
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2)CCCNC(=O)C3(CCCC3)NC(=O)C(C(C)C)Br

DOS

IR

Vibrations