Geometry & MOs

Info

ID:	134744
PubChem CID:	51750221
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	456.298808
ΔH_f, kcal/mol:	-166.36
Dipole, Da:	0.88
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(1S)-1-(3-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations