Geometry & MOs

Info

ID:

94742

PubChem CID:

50003541

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-245.51

Dipole, Da:

12.27

IP(EA), eV:

 -8.88(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations