Geometry & MOs

Info

ID:	420876
PubChem CID:	135114957
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	6.62
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4

DOS

IR

Vibrations