Geometry & MOs

Info

ID:

90152

PubChem CID:

49966812

Reduced:

BrFO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-196.03

Dipole, Da:

6.11

IP(EA), eV:

 -9.01(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations