Geometry & MOs

Info

ID:	151048
PubChem CID:	53790745
Reduced:	SO9C23H30 (1)
Stoich.:	AB9C23D30 (1)
Weight, g/mol:	380.247521
ΔH_f, kcal/mol:	-320.63
Dipole, Da:	7.48
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(4-fluoro-3-nitrophenyl)pentadecanamide

Drug info:

PubChemData

Smile

COCS(=O)(=O)C1=C(C=CC(=C1)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OCCO

DOS

IR

Vibrations