Geometry & MOs

Info

ID:	395743
PubChem CID:	135026444
Reduced:	ClSN2F3O4C22H28 (1)
Stoich.:	ABC2D3E4F22G28 (1)
Weight, g/mol:	461.183838
ΔH_f, kcal/mol:	-337.05
Dipole, Da:	5.43
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl (3R,4S)-1-benzyl-4-(6-methyl-4-oxochromen-3-yl)-2,5-dioxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/1\C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)OC(C)(C)C)/C[C@@H](C(F)(F)F)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations