Geometry & MOs

Info

ID:

323632

PubChem CID:

126675622

Reduced:

N3O5C28H29 (1)

Stoich.:

A3B5C28D29 (1)

Weight, g/mol:

556.159197

ΔHf, kcal/mol:

-87.87

Dipole, Da:

4.06

IP(EA), eV:

 -9.61(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(methanesulfonamido)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1(CC1)C#N)NC(=O)C2=CC3=C(O2)C=C(C=C3)C4=CC=C(C=C4)C5(COC5)O

DOS

IR

Vibrations