Geometry & MOs

Info

ID:	41770
PubChem CID:	8147062
Reduced:	ClSF2O4H11C19 (1)
Stoich.:	ABC2D4E11F19 (1)
Weight, g/mol:	370.168615
ΔH_f, kcal/mol:	-173.4
Dipole, Da:	5.5
IP(EA), eV:	-9.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OS(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations