Geometry & MOs

Info

ID:	331912
PubChem CID:	127250198
Reduced:	SO2F3N3H20C22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-160.36
Dipole, Da:	7.48
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-methylpyrimidin-5-yl)-[2-[5-[(2-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations