Geometry & MOs

Info

ID:	206448
PubChem CID:	80251346
Reduced:	ClON2S2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-sulfanylidenepropyl)-1-methyl-N-propan-2-ylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)CC2=NC(=CS2)CCl

DOS

IR

Vibrations