Geometry & MOs

Info

ID:	220939
PubChem CID:	85244558
Reduced:	BrNSF4O4C18H20 (1)
Stoich.:	ABCD4E4F18G20 (1)
Weight, g/mol:	502.126382
ΔH_f, kcal/mol:	-312.4
Dipole, Da:	2.79
IP(EA), eV:	-8.96(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl 17-oxopentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,18-octaene-15,16,18,20-tetracarboxylate

Drug info:

PubChemData

Smile

C1CC(C1)N(C2CCC2)C3CC4=C(C(=CC(=C4OS(=O)(=O)C(F)(F)F)Br)F)OC3

DOS

IR

Vibrations