Geometry & MOs

Info

ID:	441602
PubChem CID:	135236869
Reduced:	ClFO3S3N4C22H24 (1)
Stoich.:	ABC3D3E4F22G24 (1)
Weight, g/mol:	542.049683
ΔH_f, kcal/mol:	-107.43
Dipole, Da:	5.14
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-7-(2,3-dihydroxypropoxy)quinazolin-6-yl]-2,2-dioxodithiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NS(=O)(=O)CCCC4CSSC4

DOS

IR

Vibrations