Geometry & MOs

Info

ID:	259195
PubChem CID:	103158576
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	276.114378
ΔH_f, kcal/mol:	-141.53
Dipole, Da:	4.36
IP(EA), eV:	-8.82(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)CCC1=CC=C(C=C1)OCC(CC2CCCC2)O

DOS

IR

Vibrations