Geometry & MOs

Info

ID:

109603

PubChem CID:

50290670

Reduced:

BrFO3N4C28H28 (1)

Stoich.:

ABC3D4E28F28 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-115.69

Dipole, Da:

9.19

IP(EA), eV:

 -9.02(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations