Geometry & MOs

Info

ID:	184461
PubChem CID:	77162366
Reduced:	O4N5C22H33 (1)
Stoich.:	A4B5C22D33 (1)
Weight, g/mol:	497.127501
ΔH_f, kcal/mol:	-148.98
Dipole, Da:	6.16
IP(EA), eV:	-8.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=CC=C2NC(=O)CC3NC(CC(=O)N3)N4CCOCC4

DOS

IR

Vibrations