Geometry & MOs

Info

ID:	393195
PubChem CID:	135019696
Reduced:	SiO2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	772.9724
ΔH_f, kcal/mol:	-168.87
Dipole, Da:	3.78
IP(EA), eV:	-8.58(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-benzyl-5-butyl-3-[(E)-1,2-diiodohex-1-enyl]-4-iodopyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C=CC[C@H]([C@@]12CCCCC2=O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations