Geometry & MOs

Info

ID:	43837
PubChem CID:	10321864
Reduced:	N3O6H19C25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	457.164914
ΔH_f, kcal/mol:	-121.67
Dipole, Da:	5.97
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(3R,3aS,6R,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(2,5-dimethoxyphenyl)-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C4=CC5=CC=CC=C5O4)NC(=O)NCC(=O)O

DOS

IR

Vibrations