Geometry & MOs

Info

ID:

120375

PubChem CID:

50724992

Reduced:

ClO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-142.78

Dipole, Da:

7.89

IP(EA), eV:

 -9.13(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N(C)C

DOS

IR

Vibrations