Geometry & MOs

Info

ID:

431602

PubChem CID:

135171690

Reduced:

NOH17C29 (2)

Stoich.:

ABC17D29 (2)

Weight, g/mol:

515.207289

ΔHf, kcal/mol:

201.96

Dipole, Da:

0.6

IP(EA), eV:

 -8.0(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-5-diethoxyphosphoryl-6-phenylmethoxyindol-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC(=C8)C9=CC1=C(C=C9)OC2=C1C=C1C(=C2)C2=CC=CC=C2O1)C1=CC=CC=C13

DOS

IR

Vibrations