Geometry & MOs

Info

ID:	414386
PubChem CID:	135087343
Reduced:	N7C19H23 (1)
Stoich.:	A7B19C23 (1)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	108.68
Dipole, Da:	4.4
IP(EA), eV:	-8.59(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations