Geometry & MOs

Info

ID:	333098
PubChem CID:	127251646
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	430.124566
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	5.72
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC(=NC(=C2)C)C3CN(CCO3)C(=O)CC4=CSC(=N4)C)C

DOS

IR

Vibrations