Geometry & MOs

Info

ID:

113138

PubChem CID:

50432110

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-222.23

Dipole, Da:

8.87

IP(EA), eV:

 -8.98(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylcarbamoyl)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=CC(=C(C=C4)C(=O)N)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations