Geometry & MOs

Info

ID:

97724

PubChem CID:

50034213

Reduced:

F3O5N6C34H37 (1)

Stoich.:

A3B5C6D34E37 (1)

Weight, g/mol:

652.262103

ΔHf, kcal/mol:

-309.14

Dipole, Da:

4.65

IP(EA), eV:

 -8.77(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-fluoroanilino)-3-oxopropyl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C)F

DOS

IR

Vibrations