Geometry & MOs

Info

ID:

117812

PubChem CID:

50616476

Reduced:

Cl2O4N5C30H31 (1)

Stoich.:

A2B4C5D30E31 (1)

Weight, g/mol:

595.199775

ΔHf, kcal/mol:

-133.0

Dipole, Da:

3.86

IP(EA), eV:

 -8.63(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations