Geometry & MOs

Info

ID:	334928
PubChem CID:	127253734
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	431.124798
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	3.98
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(2-pyrazol-1-ylethylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C=CCNC(=O)CCCN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations