Geometry & MOs

Info

ID:

223277

PubChem CID:

85334780

Reduced:

S2N15O18C64H91 (1)

Stoich.:

A2B15C18D64E91 (1)

Weight, g/mol:

1422.710307

ΔHf, kcal/mol:

-689.06

Dipole, Da:

7.21

IP(EA), eV:

 -8.35(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[4-amino-1-[[1-[[1-(1-carboxyethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,4-diamino-4-oxobutanoyl)amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CC3=CN=CN3)C(=O)N4CCCC4C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)O)N

DOS

IR

Vibrations