Geometry & MOs

Info

ID:

84086

PubChem CID:

49864079

Reduced:

O7N8C42H64 (1)

Stoich.:

A7B8C42D64 (1)

Weight, g/mol:

806.505446

ΔHf, kcal/mol:

-336.52

Dipole, Da:

6.01

IP(EA), eV:

 -9.22(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methylhexanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C

DOS

IR

Vibrations