Geometry & MOs

Info

ID:	297589
PubChem CID:	117622488
Reduced:	O3N4C28H34 (1)
Stoich.:	A3B4C28D34 (1)
Weight, g/mol:	471.050806
ΔH_f, kcal/mol:	-93.87
Dipole, Da:	3.7
IP(EA), eV:	-8.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-(trifluoromethoxy)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C=O)C)/C=C\2/C3=C(C=CC(=C3)C4CCN(CC4)C5CCN(CC5)C(=O)C)NC2=O

DOS

IR

Vibrations