Geometry & MOs

Info

ID:

223298

PubChem CID:

85334824

Reduced:

O18N20C71H118 (1)

Stoich.:

A18B20C71D118 (1)

Weight, g/mol:

1542.840593

ΔHf, kcal/mol:

-907.03

Dipole, Da:

9.63

IP(EA), eV:

 -9.1(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[6-amino-1-[2-[[6-amino-1-[[1-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[[1-[[1-[2-(1-carboxyethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CN=CN3)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations