Geometry & MOs

Info

ID:	63228
PubChem CID:	26750220
Reduced:	NBr2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	2.01
IP(EA), eV:	-8.77(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=CC=C(O2)Br)Br

DOS

IR

Vibrations