Geometry & MOs

Info

ID:	277801
PubChem CID:	103831034
Reduced:	OSN2C9H20 (1)
Stoich.:	ABC2D9E20 (1)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	2.12
IP(EA), eV:	-8.64(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCSC)N

DOS

IR

Vibrations