Geometry & MOs

Info

ID:	436766
PubChem CID:	135211280
Reduced:	BrSN2O2C25H27 (1)
Stoich.:	ABC2D2E25F27 (1)
Weight, g/mol:	460.26384
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	7.69
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5,6,6-trimethyl-3-(methyliminomethyl)-8-(4-propan-2-ylpiperazin-1-yl)benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OC3CCN(CC3)SC)C(=O)C4=C1N(C5=C4C=CC(=C5)Br)C)C

DOS

IR

Vibrations