Geometry & MOs

Info

ID:	416972
PubChem CID:	135090935
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	3.36
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCC2=CC=C(C=C2)Cl)O)CC3=CC=NC=C3

DOS

IR

Vibrations