Geometry & MOs

Info

ID:	331653
PubChem CID:	127249736
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[6-[4-[(2-methylphenyl)methyl]morpholin-2-yl]pyridin-2-yl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NN=CS4

DOS

IR

Vibrations