Geometry & MOs

Info

ID:	423639
PubChem CID:	135119886
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	6.35
IP(EA), eV:	-9.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations