Geometry & MOs

Info

ID:	160334
PubChem CID:	57309681
Reduced:	NSCl2O2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	567.292258
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	5.19
IP(EA), eV:	-9.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,5S,6R)-3-[[2-chloroethyl(nitroso)carbamoyl]amino]-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hexadecanoate

Drug info:

PubChemData

Smile

CCC(NC(=O)OC1=CC(=C(C=C1)Cl)Cl)S

DOS

IR

Vibrations