Geometry & MOs

Info

ID:	192326
PubChem CID:	78257053
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	543.035723
ΔH_f, kcal/mol:	54.59
Dipole, Da:	5.39
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[[7-(3-chlorophenyl)-8-oxo-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),3,10(14)-trien-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=NNC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations