Geometry & MOs

Info

ID:	242481
PubChem CID:	96100335
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	333.143704
ΔH_f, kcal/mol:	-16.12
Dipole, Da:	3.34
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)[C@@H]3CSC4=CC=CC=C34

DOS

IR

Vibrations