Geometry & MOs

Info

ID:	379551
PubChem CID:	134444242
Reduced:	S2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	371.159354
ΔH_f, kcal/mol:	115.69
Dipole, Da:	4.26
IP(EA), eV:	-8.23(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyrimidin-2-yl-5-(1,4,9,12-tetraoxadispiro[4.2.48.25]tetradecan-11-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)N2C(=CC3=C2SC(=C3)CCC4=CC5=C(N4)SC=C5)C

DOS

IR

Vibrations