Geometry & MOs

Info

ID:

323627

PubChem CID:

126675615

Reduced:

FS2N3O4C26H26 (1)

Stoich.:

AB2C3D4E26F26 (1)

Weight, g/mol:

575.190163

ΔHf, kcal/mol:

-120.9

Dipole, Da:

5.0

IP(EA), eV:

 -9.19(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-aminocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[3-methoxy-4-(methylsulfonylmethyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1(CC1)C#N)NC(=O)C2=C(C3=C(S2)C=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations