Geometry & MOs

Info

ID:	178779
PubChem CID:	76381246
Reduced:	ClO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	305.16608
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	6.26
IP(EA), eV:	-8.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1-ethoxy-1-oxononan-2-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1(C(=C)CC2C1(CCC3C2C=C(C4=CC(=O)CCC34)Cl)C)O

DOS

IR

Vibrations