Geometry & MOs

Info

ID:

177246

PubChem CID:

76153209

Reduced:

O6C21H26 (1)

Stoich.:

A6B21C26 (1)

Weight, g/mol:

1183.59607

ΔHf, kcal/mol:

-181.88

Dipole, Da:

3.43

IP(EA), eV:

-8.43(0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-[9-[4-[5-[2-[[2-[4-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]phenoxy]acetyl]amino]ethylamino]-5-oxopentyl]triazol-1-yl]-3-oxononoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C(=CC1=CC(=C(C=C1)OC)OC)C2=CC(=C(C(=C2)OC)OC)OC)O

DOS

IR

Vibrations