Geometry & MOs

Info

ID:

223302

PubChem CID:

85334831

Reduced:

N18O21C71H120 (1)

Stoich.:

A18B21C71D120 (1)

Weight, g/mol:

1571.032691

ΔHf, kcal/mol:

-998.39

Dipole, Da:

11.84

IP(EA), eV:

 -7.76(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[6-amino-2-(octanoylamino)hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-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(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations