Geometry & MOs

Info

ID:

432846

PubChem CID:

135172983

Reduced:

ON10H24C29 (1)

Stoich.:

AB10C24D29 (1)

Weight, g/mol:

775.489542

ΔHf, kcal/mol:

206.57

Dipole, Da:

13.14

IP(EA), eV:

 -8.58(-2.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(2-fluorophenyl)-2-[[(2R,3R)-3-methoxy-3-[(1S,3S,5R,6S)-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]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(CC7=CC=CC=C7)O)/N=C23

DOS

IR

Vibrations