Geometry & MOs

Info

ID:	418405
PubChem CID:	135104575
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	3.4
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations