Geometry & MOs

Info

ID:	242443
PubChem CID:	96100065
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	3.01
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations