Geometry & MOs

Info

ID:

179218

PubChem CID:

76452753

Reduced:

FON6C28H35 (1)

Stoich.:

ABC6D28E35 (1)

Weight, g/mol:

780.499692

ΔHf, kcal/mol:

20.45

Dipole, Da:

3.64

IP(EA), eV:

 -8.79(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[15-[(3-acetamido-4-methylpentanoyl)amino]-5,9,13-trioxo-7,11-di(propan-2-yl)-1,17-dioxa-4,8,12-triazacyclohenicos-19-en-3-yl]acetyl]amino]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)CN2CCCC(C2)C3=NN(C=C3)C4CCC5C(C4)C(NN5)C6=CC=NC=C6

DOS

IR

Vibrations