Geometry & MOs

Info

ID:	417572
PubChem CID:	135102081
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	3.51
IP(EA), eV:	-9.18(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations