Geometry & MOs

Info

ID:	80699
PubChem CID:	49835914
Reduced:	N2O3H30C34 (1)
Stoich.:	A2B3C30D34 (1)
Weight, g/mol:	315.084161
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	10.62
IP(EA), eV:	-8.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2-fluorophenyl)pyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3C[C@H]3C4=CC=CC=C4)CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)O)C

DOS

IR

Vibrations