Geometry & MOs

Info

ID:	110477
PubChem CID:	50326113
Reduced:	FO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	531.228183
ΔH_f, kcal/mol:	-166.74
Dipole, Da:	7.69
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations