Geometry & MOs

Info

ID:	174368
PubChem CID:	75757707
Reduced:	ClN2O5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-159.63
Dipole, Da:	6.85
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)Cl)N(CC2=CC=C(O2)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations