Geometry & MOs

Info

ID:	331640
PubChem CID:	127249723
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	4.96
IP(EA), eV:	-8.04(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4CCCCC4

DOS

IR

Vibrations