Geometry & MOs

Info

ID:	299173
PubChem CID:	117673885
Reduced:	Cl2O3N7H21C24 (1)
Stoich.:	A2B3C7D21E24 (1)
Weight, g/mol:	568.210404
ΔH_f, kcal/mol:	19.81
Dipole, Da:	8.42
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxy-N-[3-(oxan-4-yl)-4-oxoquinazolin-6-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=NC3=C(C2=O)C=C(C=C3)N(CC4=NC=CN4)C5=C(C(=CC(=C5Cl)OC)OC)Cl

DOS

IR

Vibrations