Geometry & MOs

Info

ID:

113489

PubChem CID:

50447921

Reduced:

F3O5N6C33H35 (1)

Stoich.:

A3B5C6D33E35 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-303.05

Dipole, Da:

6.76

IP(EA), eV:

 -8.85(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations