Geometry & MOs

Info

ID:

107415

PubChem CID:

50202124

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-192.66

Dipole, Da:

9.35

IP(EA), eV:

 -8.71(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations