Geometry & MOs

Info

ID:	174363
PubChem CID:	75757702
Reduced:	NO3C15H19 (2)
Stoich.:	AB3C15D19 (2)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-216.09
Dipole, Da:	8.68
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-methoxyphenyl)-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)OC)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations