Geometry & MOs

Info

ID:

162852

PubChem CID:

57578094

Reduced:

INSC58H68 (1)

Stoich.:

ABCD58E68 (1)

Weight, g/mol:

1020.44707

ΔHf, kcal/mol:

59.43

Dipole, Da:

2.12

IP(EA), eV:

 -7.81(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[[5-[5-[4-[bis(9,9-dibutylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]pyrazolo[1,5-a]benzimidazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC1=C(SC(=C1)I)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C4(CCCC)CCCC)C6=CC7=C(C=C6)C8=CC=CC=C8C7(CCCC)CCCC

DOS

IR

Vibrations