Geometry & MOs

Info

ID:	188950
PubChem CID:	77791909
Reduced:	SCl2O5N6C37H40 (1)
Stoich.:	AB2C5D6E37F40 (1)
Weight, g/mol:	384.148535
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	5.36
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-8-(2,3-dihydroxypropoxy)-4-fluoro-6,6-dimethyl-5H-benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CC6=CC=C(C=C6)C=NN)Cl)C

DOS

IR

Vibrations