Geometry & MOs

Info

ID:	81281
PubChem CID:	49854545
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	417.127089
ΔH_f, kcal/mol:	-188.39
Dipole, Da:	12.69
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-fluoro-2-(5-methoxy-2-methylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COCCN1CC(N2C=C(C(=O)C(=O)C2=C1O)C(=O)O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations