Geometry & MOs

Info

ID:	63225
PubChem CID:	26750213
Reduced:	SN2O7C22H24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	426.98221
ΔH_f, kcal/mol:	-235.45
Dipole, Da:	9.09
IP(EA), eV:	-9.46(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N[C@H](C)COC

DOS

IR

Vibrations