Geometry & MOs

Info

ID:	122902
PubChem CID:	50826129
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	459.136511
ΔH_f, kcal/mol:	-2.46
Dipole, Da:	8.61
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[10-(4-methoxyphenyl)-5-oxo-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=C(C=C1)SCC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations