Geometry & MOs

Info

ID:

97212

PubChem CID:

50028530

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

776.369761

ΔHf, kcal/mol:

-243.19

Dipole, Da:

14.28

IP(EA), eV:

 -8.65(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6CCCCC6

DOS

IR

Vibrations