Geometry & MOs

Info

ID:	37707
PubChem CID:	8023462
Reduced:	SN2O4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	412.076075
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	1.2
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C)NC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations