Geometry & MOs

Info

ID:

425987

PubChem CID:

135134315

Reduced:

F2O3N5C35H37 (1)

Stoich.:

A2B3C5D35E37 (1)

Weight, g/mol:

636.331171

ΔHf, kcal/mol:

-121.8

Dipole, Da:

5.82

IP(EA), eV:

 -8.72(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5'-[C-[(Z)-2-aminoethenyl]-N-phenylcarbonimidoyl]-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-7'-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=C3C(=CC(=C2)C(=NC4=C(C=C(C=C4)F)F)/C=C\N)C5(CCC5)C(=O)N3CC6=CC=C(C=C6)OC

DOS

IR

Vibrations