Geometry & MOs

Info

ID:

120411

PubChem CID:

50725782

Reduced:

BrCl2O3N4C23H25 (1)

Stoich.:

AB2C3D4E23F25 (1)

Weight, g/mol:

742.268189

ΔHf, kcal/mol:

-103.83

Dipole, Da:

7.66

IP(EA), eV:

 -9.16(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations