Geometry & MOs

Info

ID:	442439
PubChem CID:	135252047
Reduced:	ClSO4N5C29H32 (1)
Stoich.:	ABC4D5E29F32 (1)
Weight, g/mol:	583.200825
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	6.89
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-1,8-bis(2-pyrimidin-2-yloxyphenyl)carbazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC[C@H](C1)NC2=NC=C(C(=N2)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations