Geometry & MOs

Info

ID:	44839
PubChem CID:	10506118
Reduced:	ClOSiN4C29H35 (1)
Stoich.:	ABCD4E29F35 (1)
Weight, g/mol:	519.174061
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	5.07
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-ethoxy-4-oxo-3-[[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3CCC(CC3)CN4C=NC5=C4N=CN=C5Cl

DOS

IR

Vibrations