Geometry & MOs

Info

ID:	49418
PubChem CID:	11532997
Reduced:	ClN4O4C24H31 (1)
Stoich.:	AB4C4D24E31 (1)
Weight, g/mol:	474.12811
ΔH_f, kcal/mol:	-119.77
Dipole, Da:	4.45
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[6-(5-chlorothiophen-2-yl)-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=CC=C1)OCC(CNCCOC2=C(C=C(C=C2)C3=NNC(=O)CC3)Cl)O

DOS

IR

Vibrations