Geometry & MOs

Info

ID:

102619

PubChem CID:

50068703

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-236.86

Dipole, Da:

8.6

IP(EA), eV:

 -8.28(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations