Geometry & MOs

Info

ID:	173942
PubChem CID:	75703311
Reduced:	ClN4O7H23C24 (1)
Stoich.:	AB4C7D23E24 (1)
Weight, g/mol:	506.278072
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	2.37
IP(EA), eV:	-9.69(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2,6-dihydroxy-N-[1-oxo-3-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations