Geometry & MOs

Info

ID:	206452
PubChem CID:	80251934
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	2.62
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-sulfanylidenebutyl)-1-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)NCC2=CC(=CC=C2)C(=S)N

DOS

IR

Vibrations