Geometry & MOs

Info

ID:	309838
PubChem CID:	126561843
Reduced:	FN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	537.205733
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	1.24
IP(EA), eV:	-9.14(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-ylidene]amino]oxyethyl]-N-methylsulfonylcarbamate

Drug info:

PubChemData

Smile

CC1(OCC(CO1)CON=C2CN(C2)C3=NC=C(C=N3)C4=CC=CC(=C4F)COC)C

DOS

IR

Vibrations