Geometry & MOs

Info

ID:

120208

PubChem CID:

50717825

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-244.31

Dipole, Da:

5.32

IP(EA), eV:

 -9.11(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations