Geometry & MOs

Info

ID:	328267
PubChem CID:	126700467
Reduced:	BrSH15C22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	453.230394
ΔH_f, kcal/mol:	89.75
Dipole, Da:	3.24
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4,6-dimethyl-1,3-dioxan-2-yl)-2,3-dihydrodibenzofuran-4-yl]-4-(4-methylphenyl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC3=C2C=CC=C3C4=CC=C(C=C4)Br)S

DOS

IR

Vibrations