Geometry & MOs

Info

ID:

113733

PubChem CID:

50456581

Reduced:

F4O5N6C40H40 (1)

Stoich.:

A4B5C6D40E40 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-320.72

Dipole, Da:

4.13

IP(EA), eV:

 -8.96(-0.87)

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-[(4-fluorophenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)CC4=CC=C(C=C4)F)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations