Geometry & MOs

Info

ID:	142248
PubChem CID:	53006044
Reduced:	ClSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	3.31
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-chloro-2-methylphenyl)-N-cyclopentyl-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C(=CC3=C2SC=C3)C(=O)N1CC4=CC=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations