Geometry & MOs

Info

ID:	81474
PubChem CID:	49854767
Reduced:	N3O5H23C28 (1)
Stoich.:	A3B5C23D28 (1)
Weight, g/mol:	493.143133
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	12.48
IP(EA), eV:	-9.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-fluoro-2-(2,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H](N2C=C(C(=O)C(=O)C2=C(N1CC3=CC=CC=N3)O)C(=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations