Geometry & MOs

Info

ID:	420941
PubChem CID:	135115073
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	1.31
Dipole, Da:	8.47
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=CC(=NN2)N)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations