Geometry & MOs

Info

ID:	38648
PubChem CID:	8137330
Reduced:	SN4O4C14H16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	401.11085
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	5.63
IP(EA), eV:	-9.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CNS(=O)(=O)C2=CC=CC=C2C#N

DOS

IR

Vibrations