Geometry & MOs

Info

ID:

107452

PubChem CID:

50203390

Reduced:

BrF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-232.57

Dipole, Da:

10.27

IP(EA), eV:

 -8.97(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations