Geometry & MOs

Info

ID:

192653

PubChem CID:

78296510

Reduced:

SSeN2O2C17H24 (1)

Stoich.:

ABC2D2E17F24 (1)

Weight, g/mol:

987.476742

ΔHf, kcal/mol:

-72.28

Dipole, Da:

6.59

IP(EA), eV:

 -8.77(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-diamino-N-[3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexanamide;2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol;sulfuric acid

Drug info:

PubChemData

Smile

CCC1C(N(C(=S)NC1=O)COCC)[Se]C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations