Geometry & MOs

Info

ID:	331641
PubChem CID:	127249724
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-12.99
Dipole, Da:	2.33
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations