Geometry & MOs

Info

ID:

115240

PubChem CID:

50514772

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-227.28

Dipole, Da:

5.89

IP(EA), eV:

 -8.28(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations