Geometry & MOs

Info

ID:	134697
PubChem CID:	51740221
Reduced:	N2O2C29H38 (1)
Stoich.:	A2B2C29D38 (1)
Weight, g/mol:	418.246772
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	7.25
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(C3CCCCC3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations