Geometry & MOs

Info

ID:	134745
PubChem CID:	51750406
Reduced:	N2O4C27H40 (1)
Stoich.:	A2B4C27D40 (1)
Weight, g/mol:	456.298808
ΔH_f, kcal/mol:	-174.83
Dipole, Da:	3.63
IP(EA), eV:	-9.01(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CC1=CC=CO1)[C@@H](C2=CC(=CC=C2)O)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations