Geometry & MOs

Info

ID:	46892
PubChem CID:	10528168
Reduced:	NO5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	465.244999
ΔH_f, kcal/mol:	-178.79
Dipole, Da:	5.26
IP(EA), eV:	-9.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-6-amino-1-(anthracen-2-ylamino)-1-oxohexan-2-yl]-2-(sulfanylmethyl)hexanamide

Drug info:

PubChemData

Smile

C[C@H]1C/C=C/[C@H]2C(=O)[C@@H]([C@H]([C@@H]3[C@]2([C@@H](/C=C/[C@@](C1=O)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)C

DOS

IR

Vibrations