Geometry & MOs

Info

ID:

431530

PubChem CID:

135171616

Reduced:

SN2O2H42C72 (1)

Stoich.:

AB2C2D42E72 (1)

Weight, g/mol:

471.182792

ΔHf, kcal/mol:

261.85

Dipole, Da:

2.07

IP(EA), eV:

 -8.0(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-(benzylamino)-5-(methanesulfonamido)indol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC=C4OC3=C(C5=C2OC6=C5C=C(C=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1)C1=C7C=CC(=C1)C1=CC2=C(C=C1)SC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations