Geometry & MOs

Info

ID:	333122
PubChem CID:	127251670
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	438.163809
ΔH_f, kcal/mol:	9.94
Dipole, Da:	6.19
IP(EA), eV:	-8.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(5-fluoro-1-methylindol-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=CC4=C(C=C3)OC(C4)(C)C)NC5=NN=CS5

DOS

IR

Vibrations