Geometry & MOs

Info

ID:	201753
PubChem CID:	79576831
Reduced:	SN5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	309.13334
ΔH_f, kcal/mol:	83.47
Dipole, Da:	8.11
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=NN=C1SCCC2CCCC2(C#N)NC3CC3

DOS

IR

Vibrations