Geometry & MOs

Info

ID:	84945
PubChem CID:	49870830
Reduced:	O8C25H34 (1)
Stoich.:	A8B25C34 (1)
Weight, g/mol:	399.334859
ΔH_f, kcal/mol:	-329.62
Dipole, Da:	7.37
IP(EA), eV:	-9.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]octadecanoic acid

Drug info:

PubChemData

Smile

CCCC[C@H](/C=C\C[C@@]\1(C=CC(=O)/C1=C/C=C/[C@@H](CCC(=O)OC)OC(=O)C)OC(=O)C)O

DOS

IR

Vibrations