Geometry & MOs

Info

ID:

91112

PubChem CID:

49973391

Reduced:

FN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

716.313389

ΔHf, kcal/mol:

-254.06

Dipole, Da:

3.14

IP(EA), eV:

 -8.76(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3,4-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)C)F

DOS

IR

Vibrations