Geometry & MOs

Info

ID:	63455
PubChem CID:	26758377
Reduced:	NF2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	495.05759
ΔH_f, kcal/mol:	-193.4
Dipole, Da:	2.51
IP(EA), eV:	-8.45(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)F)F)C

DOS

IR

Vibrations