Geometry & MOs

Info

ID:	38283
PubChem CID:	8029041
Reduced:	N2S2O3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	408.058006
ΔH_f, kcal/mol:	18.11
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.906221
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-fluorophenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)[O-])N=C1

DOS

IR

Vibrations