Geometry & MOs

Info

ID:	443820
PubChem CID:	135260089
Reduced:	SF2O2N5H19C25 (1)
Stoich.:	AB2C2D5E19F25 (1)
Weight, g/mol:	457.155018
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	6.28
IP(EA), eV:	-8.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]furo[2,3-d]pyrimidin-4-yl]methanol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=CC(=C(C=C4F)F)C5=NC(=C6C=CSC6=N5)CO

DOS

IR

Vibrations