Geometry & MOs

Info

ID:	32749
PubChem CID:	7847869
Reduced:	SCl2N2O4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	409.165601
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	10.44
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)SC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations