Geometry & MOs

Info

ID:	109971
PubChem CID:	50303544
Reduced:	FO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	7.02
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[4-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)F)C(=O)N

DOS

IR

Vibrations