Geometry & MOs

Info

ID:

297910

PubChem CID:

117636448

Reduced:

O3N5C24H29 (1)

Stoich.:

A3B5C24D29 (1)

Weight, g/mol:

897.396743

ΔHf, kcal/mol:

-34.15

Dipole, Da:

1.73

IP(EA), eV:

 -8.07(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10-[[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

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC4=C(C=C3)NCC4)OCCCN5CCOCC5

DOS

IR

Vibrations