Geometry & MOs

Info

ID:	171049
PubChem CID:	75317622
Reduced:	SN3O8C17H17 (1)
Stoich.:	AB3C8D17E17 (1)
Weight, g/mol:	501.172228
ΔH_f, kcal/mol:	-202.44
Dipole, Da:	4.06
IP(EA), eV:	-9.2(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)N3CCOCC3

DOS

IR

Vibrations