Geometry & MOs

Info

ID:	415244
PubChem CID:	135088236
Reduced:	SN5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	95.76
Dipole, Da:	0.66
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CN=C(N=C4)C5=CC=CS5

DOS

IR

Vibrations