Geometry & MOs

Info

ID:

120225

PubChem CID:

50718911

Reduced:

ClO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-147.37

Dipole, Da:

7.92

IP(EA), eV:

 -9.1(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations