Geometry & MOs

Info

ID:	134721
PubChem CID:	51744871
Reduced:	NO3C14H16 (2)
Stoich.:	AB3C14D16 (2)
Weight, g/mol:	448.095663
ΔH_f, kcal/mol:	-179.47
Dipole, Da:	6.44
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4O)OC

DOS

IR

Vibrations