Geometry & MOs

Info

ID:	335755
PubChem CID:	127254617
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	556.199822
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	2.66
IP(EA), eV:	-8.33(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1',2'-bis(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N[C@@H](CCSC)C2=NN=C3N2C=CC=C3

DOS

IR

Vibrations