Geometry & MOs

Info

ID:

325762

PubChem CID:

126684829

Reduced:

O3N4C26H30 (2)

Stoich.:

A3B4C26D30 (2)

Weight, g/mol:

1006.40453

ΔHf, kcal/mol:

-160.42

Dipole, Da:

8.84

IP(EA), eV:

 -8.57(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S,4R)-4-fluoro-2-[6-[6-[2-[(2S,4R)-4-fluoro-1-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-14-tricyclo[8.3.2.24,7]heptadeca-1(13),4,6,10,14,16-hexaenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=C5CCC6=CC(=C(CCC(=C4)C=C5)C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9CCCN9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations