Geometry & MOs

Info

ID:	63226
PubChem CID:	26750214
Reduced:	BrClNO5H15C17 (1)
Stoich.:	ABCD5E15F17 (1)
Weight, g/mol:	407.03684
ΔH_f, kcal/mol:	-139.49
Dipole, Da:	6.55
IP(EA), eV:	-8.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations