Geometry & MOs

Info

ID:	441579
PubChem CID:	135236472
Reduced:	ClFS2N4O7H24C27 (1)
Stoich.:	ABC2D4E7F24G27 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	-194.76
Dipole, Da:	6.62
IP(EA), eV:	-8.88(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-methoxy-4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)NC(=O)C5CS(=O)(=O)S(=O)(=O)C5

DOS

IR

Vibrations