Geometry & MOs

Info

ID:

105406

PubChem CID:

50107131

Reduced:

FO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-259.33

Dipole, Da:

4.79

IP(EA), eV:

 -8.84(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)F

DOS

IR

Vibrations