Geometry & MOs

Info

ID:

340167

PubChem CID:

127262176

Reduced:

ClO3N4C22H35 (1)

Stoich.:

AB3C4D22E35 (1)

Weight, g/mol:

601.266712

ΔHf, kcal/mol:

-136.93

Dipole, Da:

1.86

IP(EA), eV:

 -9.46(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(3S)-1-chloro-5-methyl-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N([C@@H](CCCCN)C(=O)CCl)[C@@H](CC1=CC=CC=C1)C(=O)N)N

DOS

IR

Vibrations