Geometry & MOs

Info

ID:	204860
PubChem CID:	80022256
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	44.13
Dipole, Da:	3.85
IP(EA), eV:	-8.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(sulfanylmethyl)cyclopentyl]methyl]azepane-2,7-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)CC3(CC3)CS

DOS

IR

Vibrations