Geometry & MOs

Info

ID:

323622

PubChem CID:

126675603

Reduced:

O2N7C36H45 (1)

Stoich.:

A2B7C36D45 (1)

Weight, g/mol:

562.202776

ΔHf, kcal/mol:

10.31

Dipole, Da:

2.07

IP(EA), eV:

 -8.44(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)CO[C@H]4CCCC4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations