Geometry & MOs

Info

ID:	421849
PubChem CID:	135116719
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	5.25
IP(EA), eV:	-8.54(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3(CCN(CC3)C)C

DOS

IR

Vibrations