Geometry & MOs

Info

ID:

113112

PubChem CID:

50431292

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-191.94

Dipole, Da:

8.64

IP(EA), eV:

 -8.88(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations