Geometry & MOs

Info

ID:

97363

PubChem CID:

50030511

Reduced:

F4O4N5H31C35 (1)

Stoich.:

A4B4C5D31E35 (1)

Weight, g/mol:

679.198473

ΔHf, kcal/mol:

-264.73

Dipole, Da:

11.07

IP(EA), eV:

 -9.04(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations