Geometry & MOs

Info

ID:

102236

PubChem CID:

50065637

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-225.56

Dipole, Da:

12.25

IP(EA), eV:

 -8.9(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)Cl

DOS

IR

Vibrations