Geometry & MOs

Info

ID:

438660

PubChem CID:

135228409

Reduced:

SN2O2C6H16 (1)

Stoich.:

AB2C2D6E16 (1)

Weight, g/mol:

731.599681

ΔHf, kcal/mol:

-109.76

Dipole, Da:

2.37

IP(EA), eV:

-9.07(0.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[6-amino-5-[[[(2S)-1-[3-cyclohexyl-1-hydroxy-2-[[1-hydroxy-2-[[1-hydroxy-2-(1-hydroxypropylamino)-4-methylpentyl]amino]-4-methylpentyl]amino]propyl]pyrrolidin-2-yl]-hydroxymethyl]amino]-6-hydroxyhexyl]guanidine

Drug info:

PubChemData

Smile

CNC(CCSCC(N)O)O

DOS

IR

Vibrations