Geometry & MOs

Info

ID:	313783
PubChem CID:	126617592
Reduced:	SO4N5C12H15 (1)
Stoich.:	AB4C5D12E15 (1)
Weight, g/mol:	549.181232
ΔH_f, kcal/mol:	-103.62
Dipole, Da:	5.99
IP(EA), eV:	-9.37(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-6-methoxy-1,2-dimethyl-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=NC2=C(S1)C(=NN2CC(=O)O)C(=O)N

DOS

IR

Vibrations