Geometry & MOs

Info

ID:	313477
PubChem CID:	126614932
Reduced:	BrNSO3H20C23 (1)
Stoich.:	ABCD3E20F23 (1)
Weight, g/mol:	446.130028
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	1.52
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C(C(=O)OC3=CC=CC=C3)SC(=O)C

DOS

IR

Vibrations