Geometry & MOs

Info

ID:	148717
PubChem CID:	53788386
Reduced:	O4C23H38 (1)
Stoich.:	A4B23C38 (1)
Weight, g/mol:	443.176077
ΔH_f, kcal/mol:	-225.51
Dipole, Da:	5.52
IP(EA), eV:	-9.82(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)[C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)C)OC3CCCCO3

DOS

IR

Vibrations