Geometry & MOs

Info

ID:

114469

PubChem CID:

50484121

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-238.81

Dipole, Da:

2.57

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations