Geometry & MOs

Info

ID:

115416

PubChem CID:

50522328

Reduced:

ClO5N6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

636.226324

ΔHf, kcal/mol:

-186.0

Dipole, Da:

7.84

IP(EA), eV:

 -8.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N)Cl

DOS

IR

Vibrations