Geometry & MOs

Info

ID:

99600

PubChem CID:

50052127

Reduced:

BrFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-178.91

Dipole, Da:

5.33

IP(EA), eV:

 -9.15(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C)Br

DOS

IR

Vibrations