Geometry & MOs

Info

ID:	382015
PubChem CID:	134972918
Reduced:	NS3O11C29H33 (1)
Stoich.:	AB3C11D29E33 (1)
Weight, g/mol:	164.963971
ΔH_f, kcal/mol:	-395.66
Dipole, Da:	7.16
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzonitrile;copper(1+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@@H]([C@H]([C@H](O2)C(=O)N(C)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations