Geometry & MOs

Info

ID:

323513

PubChem CID:

126675088

Reduced:

SF2N4O6C30H30 (1)

Stoich.:

AB2C4D6E30F30 (1)

Weight, g/mol:

583.158863

ΔHf, kcal/mol:

-238.03

Dipole, Da:

7.26

IP(EA), eV:

 -9.48(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(3-hydroxy-1,1-dioxothietan-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

DOS

IR

Vibrations