Geometry & MOs

Info

ID:	132966
PubChem CID:	51454418
Reduced:	BrN2O5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	426.157957
ΔH_f, kcal/mol:	-199.42
Dipole, Da:	4.3
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,8aR)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Br)C

DOS

IR

Vibrations