Geometry & MOs

Info

ID:	334440
PubChem CID:	127252992
Reduced:	N2O7C22H28 (1)
Stoich.:	A2B7C22D28 (1)
Weight, g/mol:	428.1139
ΔH_f, kcal/mol:	-267.4
Dipole, Da:	4.57
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N)NC(=O)CC(C1=CC(=C(C=C1)O)OC)C2=C(C(=O)C=C(O2)C)O

DOS

IR

Vibrations