Geometry & MOs

Info

ID:

120083

PubChem CID:

50713277

Reduced:

ClFN5O5C34H39 (1)

Stoich.:

ABC5D5E34F39 (1)

Weight, g/mol:

647.287447

ΔHf, kcal/mol:

-213.46

Dipole, Da:

2.93

IP(EA), eV:

 -8.31(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4F)OC

DOS

IR

Vibrations