Geometry & MOs

Info

ID:

110121

PubChem CID:

50311290

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

589.245582

ΔHf, kcal/mol:

-223.38

Dipole, Da:

7.97

IP(EA), eV:

 -8.84(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(phenylcarbamoyl)phenyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations