Geometry & MOs

Info

ID:	449484
PubChem CID:	135299003
Reduced:	ClSO2F3N7H23C25 (1)
Stoich.:	ABC2D3E7F23G25 (1)
Weight, g/mol:	505.227789
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	9.5
IP(EA), eV:	-8.35(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[(3Z)-3-[4-(3-fluorophenyl)indol-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=N1)C(F)(F)F)N=C(N2C)C3=C(C=CC(=N3)NC(=O)N(C=N)C4=CC=C(C=C4)Cl)S(=O)CC

DOS

IR

Vibrations