Geometry & MOs

Info

ID:	174354
PubChem CID:	75757646
Reduced:	N2O8C25H28 (1)
Stoich.:	A2B8C25D28 (1)
Weight, g/mol:	510.200216
ΔH_f, kcal/mol:	-292.67
Dipole, Da:	6.53
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=C(C=C(C=C2O)O)O)C(=O)NC(C)(C)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations