Geometry & MOs

Info

ID:	134693
PubChem CID:	51739916
Reduced:	N3O4C26H39 (1)
Stoich.:	A3B4C26D39 (1)
Weight, g/mol:	506.293328
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	4.07
IP(EA), eV:	-9.48(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C1CCCCC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations