Geometry & MOs

Info

ID:	63155
PubChem CID:	26744433
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	3.41
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-4-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations