Geometry & MOs

Info

ID:

377907

PubChem CID:

134223973

Reduced:

SN2O2H43C44 (2)

Stoich.:

AB2C2D43E44 (2)

Weight, g/mol:

192.078644

ΔHf, kcal/mol:

73.23

Dipole, Da:

12.2

IP(EA), eV:

 -8.26(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl oxetane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N(C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)CC7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=C(C=C9)S(=O)(=O)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations