Geometry & MOs

Info

ID:

223042

PubChem CID:

85334186

Reduced:

N11O14C46H83 (1)

Stoich.:

A11B14C46D83 (1)

Weight, g/mol:

1015.468469

ΔHf, kcal/mol:

-748.13

Dipole, Da:

4.21

IP(EA), eV:

 -9.72(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2-amino-3-methylbutanoyl)amino]-4-[[1-[[1-[[1-[[1-[[1-[[2-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)N

DOS

IR

Vibrations