Geometry & MOs

Info

ID:

313394

PubChem CID:

126614368

Reduced:

INH8C10 (1)

Stoich.:

ABC8D10 (1)

Weight, g/mol:

1568.874184

ΔHf, kcal/mol:

58.09

Dipole, Da:

1.81

IP(EA), eV:

-9.25(-1.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[2-[[2-[4,10-bis[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CN=C2C=C1)I

DOS

IR

Vibrations