Geometry & MOs

Info

ID:	45978
PubChem CID:	10519967
Reduced:	OSN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	323.228286
ΔH_f, kcal/mol:	45.27
Dipole, Da:	3.27
IP(EA), eV:	-8.21(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R)-2-(hydroxymethyl)-2-(5-methylhex-4-enyl)cyclopentyl]-1-pyrrolidin-1-ylethanethione

Drug info:

PubChemData

Smile

CCC1=C(N=CN1)/C=C\2/CSC3=C(C2=O)C4=CC=CC=C4N3C

DOS

IR

Vibrations