Geometry & MOs

Info

ID:	298684
PubChem CID:	117653893
Reduced:	SF2O3N6C29H32 (1)
Stoich.:	AB2C3D6E29F32 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	6.48
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-4-methylpyrimidin-5-yl)-3-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C.CCOC1=CC(=C(C(=C1)F)CN2C(=C(C(=N2)C3=NC=C(C(=N3)NC4=CC=NC=C4)OCCC=S=O)C)C5CC5)F

DOS

IR

Vibrations