Geometry & MOs

Info

ID:	84421
PubChem CID:	49866360
Reduced:	O8H24C27 (1)
Stoich.:	A8B24C27 (1)
Weight, g/mol:	195.029835
ΔH_f, kcal/mol:	-226.4
Dipole, Da:	6.04
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OC(C2COC(=O)C3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)/C=C/C=O

DOS

IR

Vibrations