Geometry & MOs

Info

ID:

434691

PubChem CID:

135175486

Reduced:

F2N3O4C27H33 (1)

Stoich.:

A2B3C4D27E33 (1)

Weight, g/mol:

687.234527

ΔHf, kcal/mol:

-250.6

Dipole, Da:

3.8

IP(EA), eV:

 -9.23(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-[4-(4-chlorophenyl)-3-methoxyphenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=CC=C3)OC4=CC=CC=C4)(F)F)N

DOS

IR

Vibrations