Geometry & MOs

Info

ID:

102315

PubChem CID:

50066206

Reduced:

F4O4N5H33C36 (1)

Stoich.:

A4B4C5D33E36 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-264.08

Dipole, Da:

7.69

IP(EA), eV:

 -9.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations