Geometry & MOs

Info

ID:	135011
PubChem CID:	51796859
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	514.202321
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	5.88
IP(EA), eV:	-9.08(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-chloro-N-(2-methoxyacetyl)anilino)-N-cyclohexyl-2-phenanthren-9-ylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)COC

DOS

IR

Vibrations