Geometry & MOs

Info

ID:	174366
PubChem CID:	75757705
Reduced:	ClN2O5C27H29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	526.22345
ΔH_f, kcal/mol:	-162.27
Dipole, Da:	3.24
IP(EA), eV:	-8.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3)C(=O)C4=C(C(=CC=C4)O)O

DOS

IR

Vibrations