Geometry & MOs

Info

ID:	298470
PubChem CID:	117650038
Reduced:	SF2O3N8C25H26 (1)
Stoich.:	AB2C3D8E25F26 (1)
Weight, g/mol:	555.186415
ΔH_f, kcal/mol:	-94.99
Dipole, Da:	2.41
IP(EA), eV:	-8.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(2-aminopyrimidin-5-yl)-8-methyl-4-morpholin-4-ylquinazolin-6-yl]-2-fluorophenyl]-3-fluoropropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C2=NC3=C(C(=N2)N4CCOCC4)N=C(C=C3)C5=C(C(=CC=C5)NS(=O)(=O)CCCF)F)N

DOS

IR

Vibrations