Geometry & MOs

Info

ID:	201813
PubChem CID:	79587458
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	372.0871
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	3.91
IP(EA), eV:	-8.91(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3-bromopyridin-2-yl)sulfanylethyl]-1-(propan-2-ylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCNC1CCCC1CCS(=O)(=O)CC2=CC=CC=C2C

DOS

IR

Vibrations