Geometry & MOs

Info

ID:	68778
PubChem CID:	46509071
Reduced:	O2S2N5H23C25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	387.111815
ΔH_f, kcal/mol:	62.11
Dipole, Da:	9.47
IP(EA), eV:	-8.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NC4=NN(C(=O)C4=C5N3CCCCC5)C6=CC=CC=C6

DOS

IR

Vibrations