Geometry & MOs

Info

ID:	396814
PubChem CID:	135029268
Reduced:	NSBr2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	401.177964
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	6.36
IP(EA), eV:	-9.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC(C2CCC3Br)Br

DOS

IR

Vibrations