Geometry & MOs

Info

ID:

224198

PubChem CID:

85339976

Reduced:

S3N16O18C59H92 (1)

Stoich.:

A3B16C18D59E92 (1)

Weight, g/mol:

1462.730374

ΔHf, kcal/mol:

-828.94

Dipole, Da:

4.88

IP(EA), eV:

 -8.64(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[1-[[6-amino-1-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[2-[[2-[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(C(C)C)N

DOS

IR

Vibrations