Geometry & MOs

Info

ID:	448990
PubChem CID:	135295005
Reduced:	OF2N4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	7.25
IP(EA), eV:	-8.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[(Z)-2-amino-4-oxopent-2-en-3-yl]-1-(cyclohexylmethyl)pyrrolo[3,2-b]pyridin-3-yl]-3H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)C(=CN3CC4CCC(CC4)(F)F)C5=CN=C(C=C5)N

DOS

IR

Vibrations