Geometry & MOs

Info

ID:	315616
PubChem CID:	126628216
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-121.23
Dipole, Da:	1.67
IP(EA), eV:	-8.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-[[(3R,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-acetylindazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OCC4=CC=CC=C4)C

DOS

IR

Vibrations