Geometry & MOs

Info

ID:	334490
PubChem CID:	127253165
Reduced:	N3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	377.103
ΔH_f, kcal/mol:	-209.99
Dipole, Da:	7.36
IP(EA), eV:	-8.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C(=O)NCC2=C3CCN(C(=O)C3=C(C4=C2OCO4)OC)C)C

DOS

IR

Vibrations