Geometry & MOs

Info

ID:

110247

PubChem CID:

50317126

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

752.313389

ΔHf, kcal/mol:

-250.02

Dipole, Da:

9.0

IP(EA), eV:

 -8.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]-1-[1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)NC5CCCC5)Cl)C)F

DOS

IR

Vibrations