Geometry & MOs

Info

ID:	444093
PubChem CID:	135261307
Reduced:	ClOSF3N4H8C15 (1)
Stoich.:	ABCD3E4F8G15 (1)
Weight, g/mol:	503.206973
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	6.02
IP(EA), eV:	-9.32(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NSC(=N2)NC(=O)C3=C(N=CC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations