Geometry & MOs

Info

ID:	135065
PubChem CID:	51807318
Reduced:	BrO2N3C27H36 (1)
Stoich.:	AB2C3D27E36 (1)
Weight, g/mol:	468.241293
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	5.16
IP(EA), eV:	-8.26(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-2-oxo-1-phenanthren-9-ylethyl]-2-hydroxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=C(C=C1)N(C)C)C(=O)NC2CCCCC2)C(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations