Geometry & MOs

Info

ID:	441587
PubChem CID:	135236489
Reduced:	ClFS3N4O4H26C27 (1)
Stoich.:	ABC3D4E4F26G27 (1)
Weight, g/mol:	570.096239
ΔH_f, kcal/mol:	-111.18
Dipole, Da:	2.47
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-methoxyquinazolin-6-yl]-2-(dithiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)NS(=O)(=O)CC5CCSS5

DOS

IR

Vibrations