Geometry & MOs

Info

ID:

446404

PubChem CID:

135274726

Reduced:

N3H13C19 (2)

Stoich.:

A3B13C19 (2)

Weight, g/mol:

2077.161712

ΔHf, kcal/mol:

212.23

Dipole, Da:

4.91

IP(EA), eV:

 -8.76(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-[[2-[4-[2-[bis[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxycarbonylamino]ethyl]amino]-2-oxoethyl]-7,10-bis[2-[bis[2-(propylperoxycarbonylamino)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxycarbonylamino]ethyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1(C2=C3C(=CC=C2)N=CN=C3C4=C1C=C5C(=C4)C6=CC=CC=C6N5C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations