Geometry & MOs

Info

ID:	449203
PubChem CID:	135296804
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	524.149429
ΔH_f, kcal/mol:	-169.68
Dipole, Da:	16.93
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-(3-methylbutyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCCCOC)Cl)C(=O)O

DOS

IR

Vibrations