Geometry & MOs

Info

ID:	174377
PubChem CID:	75757716
Reduced:	N2O7C26H28 (1)
Stoich.:	A2B7C26D28 (1)
Weight, g/mol:	506.205301
ΔH_f, kcal/mol:	-220.85
Dipole, Da:	3.8
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxoethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC(C)(C)C)C(=O)C4=C(C(=CC=C4)O)O

DOS

IR

Vibrations