Geometry & MOs

Info

ID:

436515

PubChem CID:

135204793

Reduced:

SO3N4C20H20 (1)

Stoich.:

AB3C4D20E20 (1)

Weight, g/mol:

527.102114

ΔHf, kcal/mol:

-21.77

Dipole, Da:

1.15

IP(EA), eV:

 -9.26(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methyl]-N-[1-(fluoromethyl)cyclopropyl]-2-oxo-1H-benzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1(CC1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations