Geometry & MOs

Info

ID:	420843
PubChem CID:	135114916
Reduced:	NSO3C7H8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-171.54
Dipole, Da:	2.9
IP(EA), eV:	-9.89(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)N3CC[C@@H]([C@@H](C3)O)C(=O)O

DOS

IR

Vibrations