Geometry & MOs

Info

ID:

91099

PubChem CID:

49973282

Reduced:

FN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-237.11

Dipole, Da:

9.23

IP(EA), eV:

 -9.01(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations