Geometry & MOs

Info

ID:

233625

PubChem CID:

91146345

Reduced:

SF3N5H12C14 (1)

Stoich.:

AB3C5D12E14 (1)

Weight, g/mol:

1197.698031

ΔHf, kcal/mol:

-37.39

Dipole, Da:

5.3

IP(EA), eV:

-9.45(-1.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-amino-N-[5-amino-2-[4-[[[4-[[5-amino-4-[6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]amino]-2,3-dihydroxy-4-oxobutyl]amino]methylamino]-3,5-dihydroxy-5-methyloxan-2-yl]oxy-4-[3-amino-6-[(2-hydroxyethylamino)methyl]-3,4-dihydro-2H-pyran-2-yl]-3-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)C2=NC(=NC=C2)N3C=CC(=N3)C(F)(F)F

DOS

IR

Vibrations