Geometry & MOs

Info

ID:	229579
PubChem CID:	87568078
Reduced:	PSF2N2O10C40H55 (1)
Stoich.:	ABC2D2E10F40G55 (1)
Weight, g/mol:	149.068808
ΔH_f, kcal/mol:	-567.06
Dipole, Da:	7.95
IP(EA), eV:	-9.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)C(=O)NCCCCOC3=CC=CC(=C3C(=O)OC)O

DOS

IR

Vibrations