Geometry & MOs

Info

ID:	184486
PubChem CID:	77168265
Reduced:	FN2O2Cl3H22C29 (1)
Stoich.:	AB2C2D3E22F29 (1)
Weight, g/mol:	518.01635
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(C2=C(O1)N=C(C(=C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations