Geometry & MOs

Info

ID:	134943
PubChem CID:	51787350
Reduced:	ClN2O5C29H31 (1)
Stoich.:	AB2C5D29E31 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	-154.45
Dipole, Da:	7.05
IP(EA), eV:	-8.51(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2Cl)[C@@H](C3=CC(=C(C=C3)O)OC)C(=O)NC4CCCCC4

DOS

IR

Vibrations