Geometry & MOs

Info

ID:

7557

PubChem CID:

73372

Reduced:

ClO3N5C48H48 (1)

Stoich.:

AB3C5D48E48 (1)

Weight, g/mol:

777.344568

ΔHf, kcal/mol:

47.79

Dipole, Da:

17.35

IP(EA), eV:

 -7.47(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]-N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]benzamide;chloride

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-]

DOS

IR

Vibrations