Geometry & MOs

Info

ID:	333123
PubChem CID:	127251671
Reduced:	FOSN6C22H23 (1)
Stoich.:	ABCD6E22F23 (1)
Weight, g/mol:	438.163809
ΔH_f, kcal/mol:	35.94
Dipole, Da:	10.47
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN(C4=C3C=C(C=C4)F)C)NC5=NN=CS5

DOS

IR

Vibrations