Geometry & MOs

Info

ID:	302571
PubChem CID:	124385142
Reduced:	ON2C20H32 (1)
Stoich.:	AB2C20D32 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	4.63
IP(EA), eV:	-8.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N,2-dihydroxy-3-[(R)-phenylsulfinyl]heptanamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)[C@H](C1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations