Geometry & MOs

Info

ID:	135261
PubChem CID:	51843908
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	442.283158
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	4.58
IP(EA), eV:	-8.88(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(O1)C)[C@@H](/C=C\C)C(=O)NC2CCCCC2

DOS

IR

Vibrations