Geometry & MOs

Info

ID:	162834
PubChem CID:	57571084
Reduced:	FSO4N5C24H28 (1)
Stoich.:	ABC4D5E24F28 (1)
Weight, g/mol:	424.172225
ΔH_f, kcal/mol:	-131.92
Dipole, Da:	9.69
IP(EA), eV:	-8.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-(2,4,5-trifluoroanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=CN=C(C=C1)N2CCC(CC2)OC3=NC=NC(=C3)NC4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations