Geometry & MOs

Info

ID:

114724

PubChem CID:

50494029

Reduced:

F2N6O6C41H42 (1)

Stoich.:

A2B6C6D41E42 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-261.6

Dipole, Da:

6.75

IP(EA), eV:

 -8.44(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations