Geometry & MOs

Info

ID:	134816
PubChem CID:	51763310
Reduced:	N2O3C30H38 (1)
Stoich.:	A2B3C30D38 (1)
Weight, g/mol:	504.335193
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	0.82
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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)NC4CCCCC4)C(=O)CO

DOS

IR

Vibrations