Geometry & MOs

Info

ID:	63222
PubChem CID:	26750204
Reduced:	BrSN2O6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	407.03684
ΔH_f, kcal/mol:	-181.22
Dipole, Da:	5.45
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations