Geometry & MOs

Info

ID:

113361

PubChem CID:

50441137

Reduced:

F2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-216.52

Dipole, Da:

11.36

IP(EA), eV:

 -8.86(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations