Geometry & MOs

Info

ID:

164629

PubChem CID:

74428200

Reduced:

OC10H16 (3)

Stoich.:

AB10C16 (3)

Weight, g/mol:

1030.551956

ΔHf, kcal/mol:

-188.77

Dipole, Da:

1.25

IP(EA), eV:

 -9.07(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[4-amino-2-[[6-amino-2-[2-[[2-[[6-amino-2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoylamino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-(1-carboxyethylamino)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C1CC(C2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C=O)O

DOS

IR

Vibrations