Geometry & MOs

Info

ID:

425986

PubChem CID:

135134314

Reduced:

ON2C12H12 (2)

Stoich.:

AB2C12D12 (2)

Weight, g/mol:

613.286446

ΔHf, kcal/mol:

8.18

Dipole, Da:

2.23

IP(EA), eV:

 -9.0(-0.93)

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]-N-(1-methylpiperidin-4-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-7'-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C2=CC=CC=C2[C@H](O1)C3=C(N=C4N3C=C(C=C4)C5=CN=C(N=C5)C(C)(C)O)C

DOS

IR

Vibrations