Geometry & MOs

Info

ID:

223081

PubChem CID:

85334488

Reduced:

N13O15C54H81 (1)

Stoich.:

A13B15C54D81 (1)

Weight, g/mol:

1151.575728

ΔHf, kcal/mol:

-691.92

Dipole, Da:

7.91

IP(EA), eV:

 -8.96(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[4-amino-1-[[6-amino-1-[[1-[[1-[[2-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)N

DOS

IR

Vibrations