Geometry & MOs

Info

ID:

379165

PubChem CID:

134355419

Reduced:

NC14H27 (1)

Stoich.:

AB14C27 (1)

Weight, g/mol:

843.529035

ΔHf, kcal/mol:

-31.11

Dipole, Da:

2.72

IP(EA), eV:

-9.28(1.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[4-amino-2-[[4-amino-2-[[4-[[2-[[4-amino-2-[[2-[[4-amino-2-(butanoylamino)butanoyl]amino]acetyl]amino]butanoyl]amino]acetyl]amino]-5-oxopentan-2-yl]-methylamino]butanoyl]amino]butanoyl]amino]-N-ethyl-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CCCCC/C(=C/C(=NC)C(C)(C)C)/C

DOS

IR

Vibrations