Geometry & MOs

Info

ID:	86580
PubChem CID:	49887328
Reduced:	BrClSN2O2H18C26 (1)
Stoich.:	ABCD2E2F18G26 (1)
Weight, g/mol:	529.12269
ΔH_f, kcal/mol:	16.67
Dipole, Da:	5.89
IP(EA), eV:	-8.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Br)/SC2=O)Cl

DOS

IR

Vibrations