Geometry & MOs

Info

ID:	423391
PubChem CID:	135119414
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	316.120526
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	3.88
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C(C)(C)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations