Geometry & MOs

Info

ID:	283397
PubChem CID:	103979544
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	4.74
IP(EA), eV:	-8.8(-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)-4-ethylcyclohexane-1-carbothioamide

Drug info:

PubChemData

Smile

C1CC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)OCC(=S)N

DOS

IR

Vibrations