Geometry & MOs

Info

ID:

151057

PubChem CID:

53790754

Reduced:

NO5C20H21 (1)

Stoich.:

AB5C20D21 (1)

Weight, g/mol:

772.279152

ΔHf, kcal/mol:

-89.18

Dipole, Da:

5.67

IP(EA), eV:

 -8.81(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-4-methyl-5-[(2-nitrophenyl)hydrazinylidene]-2,6-dioxopyridine-3-carbonitrile;(2Z)-2-[(2Z)-2-[[4-[hexyl(methyl)amino]-2-methylphenyl]methylidene]-1,1-dioxo-1-benzothiophen-3-ylidene]-2-isocyanoacetonitrile

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1)C2=CC(=CC=C2)OC(=COC)C(=O)OC

DOS

IR

Vibrations