Geometry & MOs

Info

ID:

163803

PubChem CID:

74380480

Reduced:

ClOSN4C12H17 (1)

Stoich.:

ABCD4E12F17 (1)

Weight, g/mol:

973.530492

ΔHf, kcal/mol:

8.88

Dipole, Da:

2.31

IP(EA), eV:

 -8.36(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[[4-amino-2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCC(=NN=C(N)N)C1=C(C(=C(C=C1)SC)OC)Cl

DOS

IR

Vibrations