Geometry & MOs

Info

ID:

99530

PubChem CID:

50051004

Reduced:

FN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

754.22899

ΔHf, kcal/mol:

-188.24

Dipole, Da:

13.06

IP(EA), eV:

 -8.73(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-[(2,4-difluorophenyl)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=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations