Geometry & MOs

Info

ID:	134694
PubChem CID:	51740032
Reduced:	NOC17H19 (2)
Stoich.:	ABC17D19 (2)
Weight, g/mol:	506.293328
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	3.56
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-2-[cyclohexyl-(2-phenylacetyl)amino]-2-phenanthren-9-ylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)N(C4CCCCC4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations