Geometry & MOs

Info

ID:	134709
PubChem CID:	51742717
Reduced:	N2O3C25H42 (1)
Stoich.:	A2B3C25D42 (1)
Weight, g/mol:	510.288243
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	5.75
IP(EA), eV:	-9.26(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenanthren-9-ylethyl]-N-(furan-2-ylmethyl)oct-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C(=O)NC(C)(C)C)N(CC1=CC=CO1)C(=O)CCC2CCCCC2

DOS

IR

Vibrations