Geometry & MOs

Info

ID:	331689
PubChem CID:	127249772
Reduced:	SO2N6C22H32 (1)
Stoich.:	AB2C6D22E32 (1)
Weight, g/mol:	416.199445
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	4.25
IP(EA), eV:	-8.77(-0.83)
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]-3-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CCN4CCC(CC4)C

DOS

IR

Vibrations