Geometry & MOs

Info

ID:	49744
PubChem CID:	11533716
Reduced:	SF3O3N6C23H23 (1)
Stoich.:	AB3C3D6E23F23 (1)
Weight, g/mol:	520.195799
ΔH_f, kcal/mol:	-180.79
Dipole, Da:	4.27
IP(EA), eV:	-8.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-N-methylanilino)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN(C2=NC(=NC=C2F)NC3=CC=CC4=C3NC(=O)C4)C(F)F)N(C)S(=O)(=O)C

DOS

IR

Vibrations