Geometry & MOs

Info

ID:	331405
PubChem CID:	127248812
Reduced:	FSO2N5C21H22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	3.46
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations