Geometry & MOs

Info

ID:	134763
PubChem CID:	51753489
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	4.51
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC(=C(C=C1)O)OC)N(CC2=CC=CO2)C(=O)CC

DOS

IR

Vibrations