Geometry & MOs

Info

ID:

102212

PubChem CID:

50065569

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-221.88

Dipole, Da:

7.82

IP(EA), eV:

 -8.75(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-methoxy-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations