Geometry & MOs

Info

ID:

120111

PubChem CID:

50714558

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

716.345296

ΔHf, kcal/mol:

-231.28

Dipole, Da:

13.8

IP(EA), eV:

 -8.67(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations