Geometry & MOs

Info

ID:	242470
PubChem CID:	96100293
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-18.86
Dipole, Da:	4.32
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)CC3=CSC(=N3)C

DOS

IR

Vibrations