Geometry & MOs

Info

ID:

221984

PubChem CID:

85293157

Reduced:

NO3C28H35 (1)

Stoich.:

AB3C28D35 (1)

Weight, g/mol:

435.195855

ΔHf, kcal/mol:

-111.19

Dipole, Da:

1.61

IP(EA), eV:

 -9.13(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2,2-dimethylpropyl)azetidin-1-ium-3-carbonyl]-4-methylsulfonyl-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;chloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C=CC(=O)OC)C(=O)C3CCCCC3

DOS

IR

Vibrations