Geometry & MOs

Info

ID:

215426

PubChem CID:

85084715

Reduced:

NO11C19H33 (2)

Stoich.:

AB11C19D33 (2)

Weight, g/mol:

902.489539

ΔHf, kcal/mol:

-1038.48

Dipole, Da:

4.17

IP(EA), eV:

 -10.02(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)OCCCCCCCCC(=O)OC)NC(=O)C)CO)O)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)O)O

DOS

IR

Vibrations