Geometry & MOs

Info

ID:

107139

PubChem CID:

50191145

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-268.89

Dipole, Da:

10.53

IP(EA), eV:

 -8.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations