Geometry & MOs

Info

ID:

98126

PubChem CID:

50040016

Reduced:

F3O5N6C37H43 (1)

Stoich.:

A3B5C6D37E43 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-325.42

Dipole, Da:

14.6

IP(EA), eV:

 -8.8(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F

DOS

IR

Vibrations