Geometry & MOs

Info

ID:	62378
PubChem CID:	26719652
Reduced:	Cl2N2O3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	453.013924
ΔH_f, kcal/mol:	-122.06
Dipole, Da:	4.3
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C)C(=O)OC

DOS

IR

Vibrations