Geometry & MOs

Info

ID:	323889
PubChem CID:	126676461
Reduced:	OCl2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	535.203111
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	3.01
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations