Geometry & MOs

Info

ID:	309688
PubChem CID:	126554540
Reduced:	ClFSN2O3H10C12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	507.147744
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	2.86
IP(EA), eV:	-9.15(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1NC2C(S1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)O

DOS

IR

Vibrations