Geometry & MOs

Info

ID:	33702
PubChem CID:	7887550
Reduced:	BrON2S3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	295.121986
ΔH_f, kcal/mol:	49.18
Dipole, Da:	1.65
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopentylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(S3)Br)C

DOS

IR

Vibrations