Geometry & MOs

Info

ID:

340098

PubChem CID:

127262107

Reduced:

SN3O4C19H35 (1)

Stoich.:

AB3C4D19E35 (1)

Weight, g/mol:

709.510198

ΔHf, kcal/mol:

-213.87

Dipole, Da:

4.49

IP(EA), eV:

 -8.45(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N([C@@H](CC(C)C)C(=O)N)C(CCSC)C=O)NC(=O)C

DOS

IR

Vibrations