Geometry & MOs

Info

ID:	243447
PubChem CID:	99222904
Reduced:	SN2O2C8H9 (2)
Stoich.:	AB2C2D8E9 (2)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	5.96
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC(=O)NC3=NC=CS3

DOS

IR

Vibrations