Geometry & MOs

Info

ID:	87538
PubChem CID:	49895250
Reduced:	BrSN2O5H19C25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	509.177313
ΔH_f, kcal/mol:	-40.28
Dipole, Da:	6.19
IP(EA), eV:	-9.34(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations