Geometry & MOs

Info

ID:	336032
PubChem CID:	127255039
Reduced:	BrNC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	499.131027
ΔH_f, kcal/mol:	34.72
Dipole, Da:	13.25
IP(EA), eV:	-7.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

C[N+](C)(C)C1CC1C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations