Geometry & MOs

Info

ID:	331675
PubChem CID:	127249758
Reduced:	SO3N6H14C15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	436.204531
ΔH_f, kcal/mol:	47.51
Dipole, Da:	6.1
IP(EA), eV:	-9.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[6-[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]pyridin-2-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NO2)C3=NC(=CC=C3)NC4=NN=CS4

DOS

IR

Vibrations