Geometry & MOs

Info

ID:	136967
PubChem CID:	52131997
Reduced:	ClFNO3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	323.134202
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	4.37
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-2-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN(CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(O3)C(=CC=C4)F

DOS

IR

Vibrations