Geometry & MOs

Info

ID:	88446
PubChem CID:	49903555
Reduced:	NSBr2O5H17C25 (1)
Stoich.:	ABC2D5E17F25 (1)
Weight, g/mol:	524.04054
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	6.35
IP(EA), eV:	-9.37(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Br)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations