Geometry & MOs

Info

ID:

442386

PubChem CID:

135251753

Reduced:

NH10C13 (2)

Stoich.:

AB10C13 (2)

Weight, g/mol:

907.390008

ΔHf, kcal/mol:

103.46

Dipole, Da:

2.46

IP(EA), eV:

 -7.9(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2E)-2-[(2E)-2-[(2Z,3E)-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]azaniumylidene]cyclopentylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2C4=CC=CC=C4)C=CC5=C3N(C6=CC=CC=C56)C

DOS

IR

Vibrations