Geometry & MOs

Info

ID:	334727
PubChem CID:	127253402
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	474.082993
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	4.58
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2-hydroxy-5-nitroanilino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations