Geometry & MOs

Info

ID:	63240
PubChem CID:	26750269
Reduced:	ClSN2O5C23H29 (1)
Stoich.:	ABC2D5E23F29 (1)
Weight, g/mol:	398.04773
ΔH_f, kcal/mol:	-171.84
Dipole, Da:	6.27
IP(EA), eV:	-8.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)Cl)OC)OC

DOS

IR

Vibrations