Geometry & MOs

Info

ID:	120717
PubChem CID:	50742047
Reduced:	S2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	638.268176
ΔH_f, kcal/mol:	64.92
Dipole, Da:	6.3
IP(EA), eV:	-8.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[3-[[3-[(1-benzyl-2-oxo-3H-indol-3-yl)amino]phenyl]methyl]phenyl]iminoindol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)/C(=N\NC(=S)N)/C

DOS

IR

Vibrations