Geometry & MOs

Info

ID:	62669
PubChem CID:	26732641
Reduced:	BrN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	336.99497
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	6.95
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)Br)/C#N

DOS

IR

Vibrations