Geometry & MOs

Info

ID:

115594

PubChem CID:

50527963

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-167.46

Dipole, Da:

7.56

IP(EA), eV:

 -8.89(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations