Geometry & MOs

Info

ID:

325772

PubChem CID:

126684884

Reduced:

O3N4C29H34 (2)

Stoich.:

A3B4C29D34 (2)

Weight, g/mol:

878.447932

ΔHf, kcal/mol:

-178.6

Dipole, Da:

1.73

IP(EA), eV:

 -8.54(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[6-[6-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]azetidin-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]azetidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1[C@@H](C2CCC1CC2)C3=NC4=C(N3)C=C(C=C4)C5=C6CCC7=CC(=C(CCC(=C5)C=C6)C=C7)C8=CC9=C(C=C8)N=C(N9)[C@@H]1C2CCC(N1C(=O)C(C(C)C)NC(=O)OC)CC2)NC(=O)OC

DOS

IR

Vibrations