Geometry & MOs

Info

ID:	43385
PubChem CID:	10321213
Reduced:	ClSO2N3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	440.84378
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	3.14
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromozinc(1+);copper(1+);3-phenylsulfanylpropyl acetate;cyanide

Drug info:

PubChemData

Smile

C1COCCN1CCNCC2=CC(=CC=C2)OCC3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations