Geometry & MOs

Info

ID:

17122

PubChem CID:

484659

Reduced:

N7O12C47H79 (1)

Stoich.:

A7B12C47D79 (1)

Weight, g/mol:

933.578671

ΔHf, kcal/mol:

-597.39

Dipole, Da:

7.04

IP(EA), eV:

 -9.25(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[4-[6-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutoxy]pyridin-2-yl]oxybutanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CCCOC1=NC(=CC=C1)OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC

DOS

IR

Vibrations