Geometry & MOs

Info

ID:	63227
PubChem CID:	26750218
Reduced:	BrNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	456.93473
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	6.64
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations