Geometry & MOs

Info

ID:

325767

PubChem CID:

126684856

Reduced:

NC7H9 (6)

Stoich.:

AB7C9 (6)

Weight, g/mol:

974.381903

ΔHf, kcal/mol:

152.74

Dipole, Da:

1.3

IP(EA), eV:

 -8.64(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(4R)-4-[6-[(2R)-11-[2-[(4R)-3-[(2S)-2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-1,3-oxazolidin-4-yl]-3H-benzimidazol-5-yl]-2-methyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-1,3-oxazolidin-3-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@@H]2CC[C@@H]3CC[C@H](CC[C@H]1CC2C4=CC5=C(C=C4)N=C(N5)[C@@H]6CC7(CC7)CN6)C(C3)C8=CC9=C(C=C8)N=C(N9)C1CC2(CC2)CN1

DOS

IR

Vibrations