Geometry & MOs

Info

ID:	405757
PubChem CID:	135075309
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	483.132729
ΔH_f, kcal/mol:	-53.15
Dipole, Da:	4.82
IP(EA), eV:	-9.15(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3-dibenzyl-4-(trifluoromethylsulfonyloxy)-2,6-dihydropyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]1CC/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations