Geometry & MOs

Info

ID:

325115

PubChem CID:

126680944

Reduced:

SO3N4C28H32 (2)

Stoich.:

AB3C4D28E32 (2)

Weight, g/mol:

900.526182

ΔHf, kcal/mol:

-120.68

Dipole, Da:

6.94

IP(EA), eV:

 -8.45(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[11-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-imidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CCSC)C(=O)N1C2CCC(C2)C1C3=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)C1C2CCC(C2)N1C(=O)C(CCSC)NC(=O)OC

DOS

IR

Vibrations