Geometry & MOs

Info

ID:	110240
PubChem CID:	50316465
Reduced:	FN4O4C31H33 (1)
Stoich.:	AB4C4D31E33 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-161.5
Dipole, Da:	5.74
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations