Geometry & MOs

Info

ID:	94819
PubChem CID:	50004040
Reduced:	BrFO3N4C27H34 (1)
Stoich.:	ABC3D4E27F34 (1)
Weight, g/mol:	557.281361
ΔH_f, kcal/mol:	-160.64
Dipole, Da:	9.18
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(2,5-difluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations