Geometry & MOs

Info

ID:

118913

PubChem CID:

50663665

Reduced:

ClO5N6C40H53 (1)

Stoich.:

AB5C6D40E53 (1)

Weight, g/mol:

762.310803

ΔHf, kcal/mol:

-235.99

Dipole, Da:

9.67

IP(EA), eV:

 -8.8(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations