Geometry & MOs

Info

ID:

103562

PubChem CID:

50071766

Reduced:

ClFO5N6C35H38 (1)

Stoich.:

ABC5D6E35F38 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-221.22

Dipole, Da:

13.23

IP(EA), eV:

 -8.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1-[1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N)Cl

DOS

IR

Vibrations