Geometry & MOs

Info

ID:	443355
PubChem CID:	135258695
Reduced:	ClSO3N7C27H30 (1)
Stoich.:	ABC3D7E27F30 (1)
Weight, g/mol:	690.239973
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	10.86
IP(EA), eV:	-8.58(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-bis(2,6-dimethylanilino)-9,9-dimethyl-10-(2-sulfophenyl)-10H-anthracene-1,8-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1CCN(C1)C(=O)[C@H]2CCC3=C(C2)SC4=NC=NC(=C34)NC5=CC(=C6C(=O)NC7(N6C5=O)CCC7)Cl

DOS

IR

Vibrations