Geometry & MOs

Info

ID:

99703

PubChem CID:

50054544

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

638.321668

ΔHf, kcal/mol:

-261.38

Dipole, Da:

5.56

IP(EA), eV:

 -8.65(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C)OC

DOS

IR

Vibrations