Geometry & MOs

Info

ID:	331443
PubChem CID:	127248850
Reduced:	FSO2N6C21H23 (1)
Stoich.:	ABC2D6E21F23 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	4.09
IP(EA), eV:	-8.92(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations