Geometry & MOs

Info

ID:

325764

PubChem CID:

126684844

Reduced:

O2N6C23H24 (1)

Stoich.:

A2B6C23D24 (1)

Weight, g/mol:

1014.573132

ΔHf, kcal/mol:

58.5

Dipole, Da:

6.47

IP(EA), eV:

 -8.79(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[6-[(2R)-15-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-3H-benzimidazol-5-yl]-2-methyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC=NC1=C(C=C(C=C1)C2=CC(=NC=N2)NC[C@@H](C)C3=C4C(=NC=C3)OCCO4)N=C

DOS

IR

Vibrations