Geometry & MOs

Info

ID:	423633
PubChem CID:	135119879
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	345.147075
ΔH_f, kcal/mol:	-86.43
Dipole, Da:	8.58
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations