Geometry & MOs

Info

ID:	104115
PubChem CID:	50091711
Reduced:	FN2O2C15H16 (2)
Stoich.:	AB2C2D15E16 (2)
Weight, g/mol:	563.234411
ΔH_f, kcal/mol:	-205.69
Dipole, Da:	12.84
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations