Geometry & MOs

Info

ID:	63439
PubChem CID:	26758349
Reduced:	FNO2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	451.108103
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	4.38
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations