Geometry & MOs

Info

ID:	242442
PubChem CID:	96100064
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	5.7
IP(EA), eV:	-9.13(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)[C@@H](C)C3=CC=CS3

DOS

IR

Vibrations