Geometry & MOs

Info

ID:

120150

PubChem CID:

50715672

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-176.61

Dipole, Da:

11.63

IP(EA), eV:

 -8.54(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)NC(=O)C

DOS

IR

Vibrations