Geometry & MOs

Info

ID:	62450
PubChem CID:	26719732
Reduced:	Cl2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	419.052897
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	5.42
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-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

C1[C@H](CN(C1=O)C2=CC=CC=C2Cl)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations