Geometry & MOs

Info

ID:	62143
PubChem CID:	26717752
Reduced:	N3O7C26H29 (1)
Stoich.:	A3B7C26D29 (1)
Weight, g/mol:	460.00924
ΔH_f, kcal/mol:	-138.35
Dipole, Da:	4.48
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-bromophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N\OCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)OC

DOS

IR

Vibrations