Geometry & MOs

Info

ID:	381543
PubChem CID:	134972311
Reduced:	NF3O8C27H34 (1)
Stoich.:	AB3C8D27E34 (1)
Weight, g/mol:	239.896359
ΔH_f, kcal/mol:	-453.86
Dipole, Da:	3.51
IP(EA), eV:	-9.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloro(2-methylprop-2-enyl)indigane

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N([C@@H](C[C@@](CC(=C)/C=C\C2COC(O2)(C)C)(C(=O)OC)O)C(=O)OC)C(=O)C(F)(F)F

DOS

IR

Vibrations