Geometry & MOs

Info

ID:	174367
PubChem CID:	75757706
Reduced:	ClN2O5C29H35 (1)
Stoich.:	AB2C5D29E35 (1)
Weight, g/mol:	470.16085
ΔH_f, kcal/mol:	-185.43
Dipole, Da:	7.42
IP(EA), eV:	-9.03(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-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)NC(C)(C)CC(C)(C)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations