Geometry & MOs

Info

ID:	174374
PubChem CID:	75757713
Reduced:	N2O5C28H32 (1)
Stoich.:	A2B5C28D32 (1)
Weight, g/mol:	506.278072
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	5.98
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CC3=CC=C(O3)C)C(=O)C4=C(C(=CC=C4)O)O

DOS

IR

Vibrations