Geometry & MOs

Info

ID:

309817

PubChem CID:

126560615

Reduced:

O6N8C37H40 (1)

Stoich.:

A6B8C37D40 (1)

Weight, g/mol:

1711.04901

ΔHf, kcal/mol:

-114.35

Dipole, Da:

3.34

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1-[[(1S)-1-[4-[4-[4-[2-[(1S)-1-[[(2R)-2-[[(4R)-4-(dimethylcarbamoyloxy)-5-[[(1S)-1-[4-[5-[5-[2-[(1S)-1-[[(2R)-2-(dimethylcarbamoyloxy)-2,3,3-trimethylbutanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-4-yl]pyrazin-2-yl]pyrazin-2-yl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-3,3,4-trimethyl-5-oxopentyl]-methylcarbamoyl]oxy-2,3,3-trimethylbutanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2,3,3-trimethyl-1-oxobutan-2-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1)C=C(C=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N=C(N5)CNC(=O)C6(CC6)N(C)C(=O)OC)NC(=O)C7(CC7)N(C)C(=O)OC

DOS

IR

Vibrations