Geometry & MOs

Info

ID:

120319

PubChem CID:

50722590

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

734.299489

ΔHf, kcal/mol:

-232.68

Dipole, Da:

9.48

IP(EA), eV:

 -9.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC=C4C(=O)NC(C)CC)C

DOS

IR

Vibrations