Geometry & MOs

Info

ID:

112652

PubChem CID:

50414391

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

746.359197

ΔHf, kcal/mol:

-218.52

Dipole, Da:

7.74

IP(EA), eV:

 -8.38(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)OC

DOS

IR

Vibrations