Geometry & MOs

Info

ID:

297899

PubChem CID:

117636433

Reduced:

SN4O10C31H42 (1)

Stoich.:

AB4C10D31E42 (1)

Weight, g/mol:

897.396743

ΔHf, kcal/mol:

-334.15

Dipole, Da:

3.77

IP(EA), eV:

 -8.39(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-[[(1S)-1-carboxy-4-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]-10-oxodecoxy]benzoic acid

Drug info:

PubChemData

Smile

C1COCCOCCN2CCOCCOCCN1CCOC3=C(C=C(C=C3)NC(=S)NC4=CC(=C(C=C4)C(=O)O)C(=O)O)OCC2

DOS

IR

Vibrations