Geometry & MOs

Info

ID:	436755
PubChem CID:	135211178
Reduced:	SO2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	538.170848
ΔH_f, kcal/mol:	17.25
Dipole, Da:	10.41
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N,N,6,6-tetramethyl-11-oxo-8-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]-5H-benzo[b]carbazole-9-sulfinamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)CN3CCN(CC3)S(=O)C)C(=O)C4=C1NC5=C4C=CC(=C5)C#N)C

DOS

IR

Vibrations