Geometry & MOs

Info

ID:	395920
PubChem CID:	135026899
Reduced:	NO5H27C30 (1)
Stoich.:	AB5C27D30 (1)
Weight, g/mol:	550.10363
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	4.32
IP(EA), eV:	-8.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[tert-butyl(dimethyl)silyl]oxy-4-iodo-3-phenylisochromen-1-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@@H](C2=C([C@H]1CC(=O)C3=CC=CC=C3)NC4=CC=CC=C42)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations