Geometry & MOs

Info

ID:	179821
PubChem CID:	76536302
Reduced:	ClNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	459.076803
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	5.72
IP(EA), eV:	-8.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(CC(=O)O)CN)Cl

DOS

IR

Vibrations