Geometry & MOs

Info

ID:

113080

PubChem CID:

50431032

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-275.91

Dipole, Da:

9.59

IP(EA), eV:

 -8.89(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,5-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)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NCC(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations