Geometry & MOs

Info

ID:

425995

PubChem CID:

135134505

Reduced:

O2N4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

572.259897

ΔHf, kcal/mol:

2.29

Dipole, Da:

2.78

IP(EA), eV:

 -8.58(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5'-[C-[(Z)-2-aminoethenyl]-N-(2,4-difluorophenyl)carbonimidoyl]-1'-[(4-methoxyphenyl)methyl]-7'-(1-methylpyrrolidin-3-yl)oxyspiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CN1CCC[C@H]1COC2=CC(=CC3=C2NC(=O)C34CCCC4)C5=CC=NN5C6=CC=CC=C6

DOS

IR

Vibrations