Geometry & MOs

Info

ID:	63238
PubChem CID:	26750266
Reduced:	BrN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	386.04773
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	3.13
IP(EA), eV:	-9.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations