Geometry & MOs

Info

ID:	277826
PubChem CID:	103831125
Reduced:	O2N4C13H26 (1)
Stoich.:	A2B4C13D26 (1)
Weight, g/mol:	296.135863
ΔH_f, kcal/mol:	-115.02
Dipole, Da:	5.95
IP(EA), eV:	-9.05(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N1CCN(CC1)C(=O)NCC)N

DOS

IR

Vibrations