Geometry & MOs

Info

ID:

163923

PubChem CID:

74380839

Reduced:

FSO2N6C23H25 (1)

Stoich.:

ABC2D6E23F25 (1)

Weight, g/mol:

1152.618596

ΔHf, kcal/mol:

-27.26

Dipole, Da:

3.3

IP(EA), eV:

 -9.21(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[[2-[[5-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C(=O)NCC2CC3CC3N2C(=O)C4=C(SC(=N4)N)C5=CC(=CC=C5)F

DOS

IR

Vibrations