Geometry & MOs

Info

ID:	331805
PubChem CID:	127250089
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	429.102624
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	6.32
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=C(C=C4)OCC

DOS

IR

Vibrations