Geometry & MOs

Info

ID:	242468
PubChem CID:	96100290
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	5.68
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-propyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NC=C(S1)C(=O)N2CCO[C@@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations