Geometry & MOs

Info

ID:

168294

PubChem CID:

74947078

Reduced:

NO3C47H87 (1)

Stoich.:

AB3C47D87 (1)

Weight, g/mol:

699.359176

ΔHf, kcal/mol:

-228.13

Dipole, Da:

1.68

IP(EA), eV:

-8.64(1.21)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[4-[2-[[4-[[(2-amino-4-phenylbutanoyl)amino]oxymethyl]phenyl]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCCCCOCC(CN1CCOCC1)OCCCCCCCCCCC=CCC=CCCCCC

DOS

IR

Vibrations