Geometry & MOs

Info

ID:	47069
PubChem CID:	10529334
Reduced:	IO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	498.16623
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	3.1
IP(EA), eV:	-8.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 5-O-(2-trimethylsilylethyl) (2S,4S)-2-butyl-4-(2-iodoethyl)pentanedioate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=C(C4=C(N=CN=C43)NC5CCCCC5)I)OC(O2)(C)C

DOS

IR

Vibrations