Geometry & MOs

Info

ID:	421298
PubChem CID:	135115745
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	340.120526
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	5.23
IP(EA), eV:	-9.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations