Geometry & MOs

Info

ID:	135137
PubChem CID:	51820409
Reduced:	N2O3C26H44 (1)
Stoich.:	A2B3C26D44 (1)
Weight, g/mol:	434.278072
ΔH_f, kcal/mol:	-183.32
Dipole, Da:	2.38
IP(EA), eV:	-8.73(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-tert-butyl-N-[(1R)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]oct-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N([C@@H](C1=CC=C(C=C1)OC)C(=O)NC(C)(C)CC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations