Geometry & MOs

Info

ID:	444653
PubChem CID:	135263142
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-157.03
Dipole, Da:	2.69
IP(EA), eV:	-9.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-morpholin-4-ylpyrimidin-5-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(=O)O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations