Geometry & MOs

Info

ID:	404506
PubChem CID:	135066567
Reduced:	N3O3C28H29 (1)
Stoich.:	A3B3C28D29 (1)
Weight, g/mol:	478.152872
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	3.93
IP(EA), eV:	-8.13(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5R)-1'-benzyl-5-(2-nitrophenyl)-2-phenylspiro[1,3-dioxolane-4,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)N4[C@@H](COC[C@]4(N2CC5=CC=CC=C5)O3)C6=CC=CC=C6

DOS

IR

Vibrations