Geometry & MOs

Info

ID:	143376
PubChem CID:	53199304
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	3.48
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[8-(2-methylpropyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NN(C3=O)CC(=O)NC4CCCCC4

DOS

IR

Vibrations