Geometry & MOs

Info

ID:

119940

PubChem CID:

50707870

Reduced:

BrClO5N6C28H34 (1)

Stoich.:

ABC5D6E28F34 (1)

Weight, g/mol:

748.315139

ΔHf, kcal/mol:

-198.24

Dipole, Da:

3.69

IP(EA), eV:

 -9.18(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)Br

DOS

IR

Vibrations