Geometry & MOs

Info

ID:	62416
PubChem CID:	26719694
Reduced:	NCl2O2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	421.041853
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	4.07
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

C1C(=CC2=CC=CC=C2O1)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations