Geometry & MOs

Info

ID:

325116

PubChem CID:

126680945

Reduced:

O3N4C26H34 (2)

Stoich.:

A3B4C26D34 (2)

Weight, g/mol:

964.470324

ΔHf, kcal/mol:

-215.83

Dipole, Da:

10.26

IP(EA), eV:

 -8.88(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[11-[2-[1-[2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-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]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C2CCCCC2CC1C3=NC=C(N3)C4=C5CCC6=CC(=C(CCC(=C4)C=C5)C=C6)C7=CN=C(N7)C8CC9CCCCC9N8C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations