Geometry & MOs

Info

ID:	87346
PubChem CID:	49894219
Reduced:	BrNSO5C31H32 (1)
Stoich.:	ABCD5E31F32 (1)
Weight, g/mol:	528.126755
ΔH_f, kcal/mol:	-133.64
Dipole, Da:	1.21
IP(EA), eV:	-8.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCCOC4=CC=C(C=C4)C(C)(C)C)OC)/SC2=O

DOS

IR

Vibrations