Geometry & MOs

Info

ID:	134674
PubChem CID:	51737763
Reduced:	N3O3C26H39 (1)
Stoich.:	A3B3C26D39 (1)
Weight, g/mol:	505.330442
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	2.11
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclohexyl-[(1R)-2-oxo-1-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](/C=C/CCC)N(C1CCCCC1)C(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations