Geometry & MOs

Info

ID:	47070
PubChem CID:	10529341
Reduced:	ISiO4C20H39 (1)
Stoich.:	ABC4D20E39 (1)
Weight, g/mol:	498.228535
ΔH_f, kcal/mol:	-274.47
Dipole, Da:	3.76
IP(EA), eV:	-9.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[4-(chloromethyl)phenyl]-(5-ethoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H](C[C@@H](CCI)C(=O)OCC[Si](C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations