Geometry & MOs

Info

ID:	436569
PubChem CID:	135205497
Reduced:	ClO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	516.202714
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	3.21
IP(EA), eV:	-9.46(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-[(2S)-oxan-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)N1C=C(C(=CC1=O)C2=C(C=CC(=C2)Cl)N3C=NN=N3)OC

DOS

IR

Vibrations