Geometry & MOs

Info

ID:	174361
PubChem CID:	75757700
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	492.226037
ΔH_f, kcal/mol:	-201.89
Dipole, Da:	3.24
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-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)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations