Geometry & MOs

Info

ID:	34349
PubChem CID:	7890873
Reduced:	FN3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-128.82
Dipole, Da:	12.22
IP(EA), eV:	-9.33(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations