Geometry & MOs

Info

ID:

109689

PubChem CID:

50294275

Reduced:

FO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-217.9

Dipole, Da:

8.32

IP(EA), eV:

 -8.81(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-(propanoylamino)phenyl]-1-[1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations