Geometry & MOs

Info

ID:	87530
PubChem CID:	49895230
Reduced:	BrNSO2H14C18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	477.151098
ΔH_f, kcal/mol:	-22.72
Dipole, Da:	2.69
IP(EA), eV:	-9.3(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=CC=C3Br)/SC2=O

DOS

IR

Vibrations