Geometry & MOs

Info

ID:

187722

PubChem CID:

77615153

Reduced:

ClFO3N5C29H31 (1)

Stoich.:

ABC3D5E29F31 (1)

Weight, g/mol:

551.196918

ΔHf, kcal/mol:

-103.42

Dipole, Da:

9.89

IP(EA), eV:

 -9.12(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl N-[3-[5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)C)OC(=O)NC(CCN2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4Cl)F)C5=CC=CC=C5

DOS

IR

Vibrations