Geometry & MOs

Info

ID:

112635

PubChem CID:

50414028

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-199.03

Dipole, Da:

7.78

IP(EA), eV:

 -9.44(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propanoylamino)phenyl]-1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N(C)C)C

DOS

IR

Vibrations