Geometry & MOs

Info

ID:

100972

PubChem CID:

50064227

Reduced:

BrFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

619.280612

ΔHf, kcal/mol:

-185.61

Dipole, Da:

10.19

IP(EA), eV:

 -8.72(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-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=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations