Geometry & MOs

Info

ID:

113735

PubChem CID:

50456625

Reduced:

F4O5N6H40C41 (1)

Stoich.:

A4B5C6D40E41 (1)

Weight, g/mol:

772.299631

ΔHf, kcal/mol:

-312.91

Dipole, Da:

8.87

IP(EA), eV:

 -8.9(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations