Geometry & MOs

Info

ID:

325114

PubChem CID:

126680922

Reduced:

NC25H31 (1)

Stoich.:

AB25C31 (1)

Weight, g/mol:

1008.439024

ΔHf, kcal/mol:

25.23

Dipole, Da:

2.47

IP(EA), eV:

 -7.82(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[3-[6-[11-[2-[2-[2-(methoxycarbonylamino)-4-methylsulfanylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=C2CCC3=C4C=C(NC4=C(CCC(=C1)C=C2)C=C3)C(C)(C)C

DOS

IR

Vibrations