Geometry & MOs

Info

ID:	441578
PubChem CID:	135236373
Reduced:	SO4N6C23H24 (1)
Stoich.:	AB4C6D23E24 (1)
Weight, g/mol:	634.075897
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	4.46
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-7-ethoxyquinazolin-6-yl]-1,1,2,2-tetraoxodithiolane-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC=C3C(=O)NCCC(=O)O)N

DOS

IR

Vibrations