Geometry & MOs

Info

ID:

114551

PubChem CID:

50488123

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

631.262854

ΔHf, kcal/mol:

-266.14

Dipole, Da:

9.2

IP(EA), eV:

 -8.98(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations