Geometry & MOs

Info

ID:	134817
PubChem CID:	51763311
Reduced:	N2O3C32H44 (1)
Stoich.:	A2B3C32D44 (1)
Weight, g/mol:	504.335193
ΔH_f, kcal/mol:	-137.6
Dipole, Da:	4.91
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[hexyl-(2-hydroxyacetyl)amino]-2-phenanthren-9-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CO

DOS

IR

Vibrations