Geometry & MOs

Info

ID:

80086

PubChem CID:

49832813

Reduced:

FNO4C26H34 (1)

Stoich.:

ABC4D26E34 (1)

Weight, g/mol:

810.384028

ΔHf, kcal/mol:

-200.94

Dipole, Da:

2.1

IP(EA), eV:

 -8.69(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1(COC(OC1)(CCCN2CCC3=C(C=CC(=C3)OC)C(C2)O)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations