Geometry & MOs

Info

ID:

325638

PubChem CID:

126684289

Reduced:

FOC11H16 (2)

Stoich.:

ABC11D16 (2)

Weight, g/mol:

589.323083

ΔHf, kcal/mol:

-195.77

Dipole, Da:

2.88

IP(EA), eV:

-8.51(-0.26)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C3CCC(CC3)C)F)F

DOS

IR

Vibrations