Geometry & MOs

Info

ID:

120404

PubChem CID:

50725606

Reduced:

ClSO3N6C20H25 (1)

Stoich.:

ABC3D6E20F25 (1)

Weight, g/mol:

708.283839

ΔHf, kcal/mol:

-73.74

Dipole, Da:

7.85

IP(EA), eV:

 -9.18(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations