Geometry & MOs

Info

ID:	147203
PubChem CID:	53786857
Reduced:	N2O7C19H22 (1)
Stoich.:	A2B7C19D22 (1)
Weight, g/mol:	479.264671
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	4.68
IP(EA), eV:	-10.05(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2,3,5-tris[(2,5-dimethylphenyl)methyl]benzenethiol

Drug info:

PubChemData

Smile

CC1C(C(C(C(=N1)C=O)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C

DOS

IR

Vibrations