Geometry & MOs

Info

ID:

432646

PubChem CID:

135172782

Reduced:

N3O4C15H21 (1)

Stoich.:

A3B4C15D21 (1)

Weight, g/mol:

757.498964

ΔHf, kcal/mol:

-136.37

Dipole, Da:

5.79

IP(EA), eV:

-9.29(0.08)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(3S)-2-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

DOS

IR

Vibrations