Geometry & MOs

Info

ID:

444968

PubChem CID:

135264125

Reduced:

N6O12C35H50 (1)

Stoich.:

A6B12C35D50 (1)

Weight, g/mol:

652.304956

ΔHf, kcal/mol:

-436.98

Dipole, Da:

10.81

IP(EA), eV:

 -8.43(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[4-[2-(cyclopentylamino)-1-(N-(1,5-diphenylpyrazole-3-carbonyl)-4-propan-2-ylanilino)-2-oxoethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=NC2=C1C3=CC=CC=C3N=C2N)CN(CC(=O)ON4C(=O)CCC4=O)C(=O)CCOCCOCCOCCOCCOCCCO)O

DOS

IR

Vibrations