Geometry & MOs

Info

ID:	283401
PubChem CID:	103979563
Reduced:	BrClN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	3.22
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations