Geometry & MOs

Info

ID:	242469
PubChem CID:	96100291
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	2.97
IP(EA), eV:	-9.28(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations