Geometry & MOs

Info

ID:	94003
PubChem CID:	49998043
Reduced:	BrO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	539.290783
ΔH_f, kcal/mol:	-156.77
Dipole, Da:	5.67
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-fluoro-5-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations