Geometry & MOs

Info

ID:	334620
PubChem CID:	127253295
Reduced:	NO4C14H17 (2)
Stoich.:	AB4C14D17 (2)
Weight, g/mol:	381.097915
ΔH_f, kcal/mol:	-251.74
Dipole, Da:	9.21
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC(=C(C=C2)OC)OC)N(C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations