Geometry & MOs

Info

ID:	133351
PubChem CID:	51512960
Reduced:	OSF2N4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	440.204159
ΔH_f, kcal/mol:	-25.56
Dipole, Da:	3.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.908578
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopentyl-2-[(3-cyclopentyl-4,5-dimethyl-1H-imidazol-3-ium-2-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2CC(=O)N[C@H](C)C3=C(C=C(C=C3)F)F)[S-]

DOS

IR

Vibrations