Geometry & MOs

Info

ID:

134161

PubChem CID:

51655899

Reduced:

NO3H8C12 (1)

Stoich.:

AB3C8D12 (1)

Weight, g/mol:

372.077993

ΔHf, kcal/mol:

18.12

Dipole, Da:

9.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.132071

Charge, e:

 -2

Chem-info

IUPAC name:

3-[(2-tert-butyl-1,3-benzoxazol-5-yl)azanidylsulfonyl]benzoate

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)/C=C\C(=O)[O-]

DOS

IR

Vibrations