Geometry & MOs

Info

ID:	416769
PubChem CID:	135090331
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	56.81
Dipole, Da:	1.26
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=NOC(=N2)C3=CC=CC=C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations