Geometry & MOs

Info

ID:

97334

PubChem CID:

50030402

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

627.206003

ΔHf, kcal/mol:

-226.44

Dipole, Da:

8.59

IP(EA), eV:

 -8.82(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-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)NCC(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations