Geometry & MOs

Info

ID:

190933

PubChem CID:

78080071

Reduced:

NSiO18C60H77 (1)

Stoich.:

ABC18D60E77 (1)

Weight, g/mol:

976.557482

ΔHf, kcal/mol:

-816.66

Dipole, Da:

18.37

IP(EA), eV:

 -9.38(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[15-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-1H-imidazol-5-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-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

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O[Si](OC(=O)C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations