Geometry & MOs

Info

ID:	436594
PubChem CID:	135205819
Reduced:	BrNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	562.128694
ΔH_f, kcal/mol:	-170.18
Dipole, Da:	5.7
IP(EA), eV:	-8.75(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-N-(2-methylquinolin-6-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)OC(C)(C)C)N1C=C(C(=CC1=O)Br)OC

DOS

IR

Vibrations