Geometry & MOs

Info

ID:

118083

PubChem CID:

50628237

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-208.24

Dipole, Da:

9.72

IP(EA), eV:

 -9.2(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4CCCC4

DOS

IR

Vibrations