Geometry & MOs

Info

ID:

442270

PubChem CID:

135250915

Reduced:

S2N4O8C41H44 (1)

Stoich.:

A2B4C8D41E44 (1)

Weight, g/mol:

774.264473

ΔHf, kcal/mol:

-277.71

Dipole, Da:

6.31

IP(EA), eV:

 -8.28(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-methoxy-4-(3-methoxy-2,4,6-trimethylanilino)phenyl]-[2-methoxy-4-(2,3,4,6-tetramethylanilino)phenyl]methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=CC(=C(C=C2)C(C3=C(C=C(C=C3)NC4=C(C=C(C=C4C)NC(=O)C)C)C)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)C)C)NC(=O)C

DOS

IR

Vibrations