Geometry & MOs

Info

ID:	448183
PubChem CID:	135289081
Reduced:	ON6H24C25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	630.154909
ΔH_f, kcal/mol:	125.94
Dipole, Da:	4.44
IP(EA), eV:	-8.09(-1.77)
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-[4-(oxan-4-yloxy)phenyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5N6CCCCC6

DOS

IR

Vibrations