Geometry & MOs

Info

ID:

187724

PubChem CID:

77615508

Reduced:

SO2N4C30H40 (1)

Stoich.:

AB2C4D30E40 (1)

Weight, g/mol:

615.246867

ΔHf, kcal/mol:

-53.33

Dipole, Da:

4.18

IP(EA), eV:

 -8.05(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl N-[3-[5-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CCN1C=C2CCSN(C3=CC(=CC1=C23)C(=O)NC(CC4=CC=CC=C4)C(CNC5CCCCC5)O)C

DOS

IR

Vibrations