Geometry & MOs

Info

ID:	179846
PubChem CID:	76541212
Reduced:	ClSN3O8C42H58 (1)
Stoich.:	ABC3D8E42F58 (1)
Weight, g/mol:	462.319268
ΔH_f, kcal/mol:	-319.66
Dipole, Da:	2.63
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5,6-hexahydroxyhexyl octadec-9-enoate

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)(C)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C3C(O3)C4=CC=C(C=C4)CN(C)CC(C)(C)S

DOS

IR

Vibrations