Geometry & MOs

Info

ID:

164510

PubChem CID:

74409318

Reduced:

N3O5C18H25 (1)

Stoich.:

A3B5C18D25 (1)

Weight, g/mol:

1073.594338

ΔHf, kcal/mol:

-161.3

Dipole, Da:

10.92

IP(EA), eV:

 -9.47(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-N-(3-methyl-1-oxobutan-2-yl)pentanediamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC(C)(C)C)C)[N+](=O)[O-]

DOS

IR

Vibrations