Geometry & MOs

Info

ID:	60173
PubChem CID:	26675826
Reduced:	N2S2O5H22C24 (1)
Stoich.:	A2B2C5D22E24 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-90.82
Dipole, Da:	7.95
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(4-tert-butylphenyl)methylideneamino]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CS4)C(=O)OC

DOS

IR

Vibrations