Geometry & MOs

Info

ID:

117172

PubChem CID:

50593905

Reduced:

Cl2O5N6C33H40 (1)

Stoich.:

A2B5C6D33E40 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-219.75

Dipole, Da:

5.0

IP(EA), eV:

 -8.47(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations