Geometry & MOs

Info

ID:	123653
PubChem CID:	50857923
Reduced:	ClFSN2O3H18C23 (1)
Stoich.:	ABCD2E3F18G23 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-93.32
Dipole, Da:	7.27
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(4-fluorophenyl)methyl]-5-[[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CN1C2=CC=C(C=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations