Geometry & MOs

Info

ID:	63216
PubChem CID:	26750163
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	438.00626
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	4.25
IP(EA), eV:	-8.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations