Geometry & MOs

Info

ID:	283398
PubChem CID:	103979555
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	6.47
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cycloheptane-1-carbothioamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C(=S)N)N2C(=O)C3CCCC3C2=O

DOS

IR

Vibrations