Geometry & MOs

Info

ID:	49847
PubChem CID:	11533951
Reduced:	SO4N5C28H37 (1)
Stoich.:	AB4C5D28E37 (1)
Weight, g/mol:	539.324688
ΔH_f, kcal/mol:	-108.0
Dipole, Da:	15.03
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,7S)-1-hydroxy-7-methoxy-2,2,4-trimethyldecan-3-yl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CN(N=N2)C3CCCC4=C3C=CC(=C4)CNCC(C)(C)C)C(=O)O

DOS

IR

Vibrations