Geometry & MOs

Info

ID:

111368

PubChem CID:

50363416

Reduced:

F2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-255.4

Dipole, Da:

3.58

IP(EA), eV:

 -8.81(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)F)C(=O)N6CCCC6

DOS

IR

Vibrations