Geometry & MOs

Info

ID:	145128
PubChem CID:	53467666
Reduced:	BNO4H28C37 (1)
Stoich.:	ABC4D28E37 (1)
Weight, g/mol:	361.062008
ΔH_f, kcal/mol:	-73.47
Dipole, Da:	3.76
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,4R)-1-methoxy-5-nitro-1-oxo-4-phenylpent-2-en-2-yl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

B1(OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54)C6=CC=CC=C6C=N[C@@H](C7=CC=C(C=C7)C)C(=O)OC

DOS

IR

Vibrations